#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 3.47 -0.41 1.61 0.04 -1.26 -5.02 135.00 133.43 1jkn s PRO 2 Ca 0.00 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1jkn s PRO 2 Cb 0.00 -2.12 0.18 0.00 0.04 0.00 0.00 34.50 32.60 1jkn s PRO 2 CO 0.00 -0.76 0.36 -0.11 0.04 0.00 0.00 177.00 176.53 1jkn n LEU 3 N -1.06 -0.40 -2.68 -3.56 -0.00 -1.26 -4.96 117.00 103.08 1jkn n LEU 3 Ca 0.10 -4.41 -0.08 0.00 -0.00 0.00 0.00 56.01 51.62 1jkn n LEU 3 Cb 0.50 0.55 0.04 0.00 -0.00 0.00 0.00 43.42 44.51 1jkn n LEU 3 CO 0.44 1.88 -0.07 0.61 -0.00 0.00 0.00 177.39 180.25 1jkn n GLY 4 N 2.67 1.52 0.00 -3.96 0.00 -1.26 -5.09 105.19 99.07 1jkn n GLY 4 Ca 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1jkn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 5 N -0.15 0.17 -3.18 1.61 7.64 -1.26 -4.61 113.62 113.84 1jkn n SER 5 Ca 0.08 -0.07 0.05 0.00 1.01 0.00 0.00 58.87 59.94 1jkn n SER 5 Cb 0.82 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 1jkn n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jkn s MET 6 N 0.78 0.15 0.00 1.43 -1.94 0.99 -4.64 119.30 116.06 1jkn s MET 6 Ca 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1jkn s MET 6 Cb 0.00 0.16 0.00 0.00 2.01 0.00 0.00 34.83 37.00 1jkn s MET 6 CO 0.00 -0.14 0.66 -3.47 -0.01 0.00 0.00 175.02 172.06 1jkn n ASP 7 N 5.34 0.35 -3.65 3.03 -0.08 -1.26 0.14 116.55 120.42 1jkn n ASP 7 Ca -0.08 -1.67 -0.02 0.00 -1.51 0.00 0.00 54.79 51.52 1jkn n ASP 7 Cb 0.54 -0.17 -0.07 0.00 2.34 0.00 0.00 41.12 43.76 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1jkn s SER 8 N -0.75 -0.10 -0.22 1.67 1.04 -1.26 -4.93 113.70 109.15 1jkn s SER 8 Ca 0.00 0.18 -0.28 0.00 0.48 0.00 0.00 55.95 56.32 1jkn s SER 8 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1jkn s SER 8 CO 0.00 -0.03 2.14 -2.16 0.98 0.00 0.00 173.24 174.17 1jkn s PRO 9 N 0.30 3.22 0.46 4.02 0.04 -1.26 -4.97 135.00 136.81 1jkn s PRO 9 Ca 0.03 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 1jkn s PRO 9 Cb -0.04 -4.33 0.11 0.00 0.04 0.00 0.00 34.50 30.27 1jkn s PRO 9 CO -0.14 -2.01 0.55 -2.30 0.04 0.00 0.00 177.00 173.15 1jkn n PRO 10 N 8.64 -1.01 -3.18 0.56 -0.02 -1.26 -5.05 135.00 133.67 1jkn n PRO 10 Ca 0.28 -0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 60.58 1jkn n PRO 10 Cb 0.45 -0.64 -0.06 0.00 -0.02 0.00 0.00 33.50 33.24 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 -4.21 3.94 0.00 -0.52 2.02 -1.26 -4.07 118.70 114.59 1jkn s GLU 11 Ca 0.32 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.88 1jkn s GLU 11 Cb -0.02 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1jkn s GLU 11 CO 0.23 0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1jkn n GLY 12 N -0.39 2.78 3.77 -1.39 0.00 -1.26 -4.97 105.19 103.73 1jkn n GLY 12 Ca 0.03 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.60 3.61 0.39 1.61 2.02 -1.26 -2.05 117.35 120.07 1jkn s TYR 13 Ca 0.00 0.94 -0.12 0.00 -0.37 0.00 0.00 57.07 57.52 1jkn s TYR 13 Cb 0.00 -2.44 -0.07 0.00 -0.40 0.00 0.00 41.96 39.05 1jkn s TYR 13 CO 0.00 0.38 0.77 0.50 -1.57 0.00 0.00 175.55 175.63 1jkn s ARG 14 N -0.14 3.85 0.18 -0.62 3.00 -1.13 -4.69 118.95 119.40 1jkn s ARG 14 Ca 0.25 0.55 -0.33 0.00 -1.00 0.00 0.00 55.73 55.20 1jkn s ARG 14 Cb -0.16 -2.38 -0.13 0.00 0.00 0.00 0.00 34.95 32.27 1jkn s ARG 14 CO 0.12 -0.00 1.61 0.54 0.00 0.00 0.00 175.30 177.56 1jkn n ARG 15 N -1.08 2.33 -3.68 5.12 5.12 -1.26 -3.30 116.66 119.91 1jkn n ARG 15 Ca 0.03 0.84 -0.13 0.00 -1.93 0.00 0.00 57.85 56.66 1jkn n ARG 15 Cb 0.54 -2.63 -0.07 0.00 -1.16 0.00 0.00 32.46 29.14 1jkn n ARG 15 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1jkn s ASN 16 N 0.94 -0.29 -0.01 0.55 2.47 -1.16 -3.35 114.94 114.09 1jkn s ASN 16 Ca 0.77 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 54.12 1jkn s ASN 16 Cb -0.63 0.41 0.01 0.00 -1.45 0.00 0.00 41.25 39.59 1jkn s ASN 16 CO 0.37 -0.61 0.03 0.68 -3.72 0.00 0.00 177.10 173.85 1jkn s VAL 17 N -2.11 -0.02 0.10 -5.21 -7.23 0.27 -3.55 120.40 102.65 1jkn s VAL 17 Ca -0.08 0.09 0.05 0.00 -1.81 0.00 0.00 61.98 60.23 1jkn s VAL 17 Cb -0.02 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.82 1jkn s VAL 17 CO 0.00 0.03 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.98 1jkn s GLY 18 N 0.44 1.90 -0.30 2.32 0.00 -1.25 -1.15 107.32 109.28 1jkn s GLY 18 Ca -0.04 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1jkn s GLY 18 CO -0.01 -1.13 0.01 -0.42 0.00 0.00 0.00 173.10 171.55 1jkn s ILE 19 N -1.31 1.95 -0.51 0.90 1.09 -0.34 -1.39 121.20 121.59 1jkn s ILE 19 Ca 0.25 -1.89 -0.22 0.00 -1.10 0.00 0.00 60.65 57.69 1jkn s ILE 19 Cb -0.12 -2.32 0.04 0.00 -1.06 0.00 0.00 42.46 39.00 1jkn s ILE 19 CO 0.18 -0.41 0.80 0.00 -0.10 0.00 0.00 174.94 175.40 1jkn s LEU 21 N 3.36 4.05 0.19 0.00 2.96 -1.26 0.21 118.68 128.19 1jkn s LEU 21 Ca 0.25 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1jkn s LEU 21 Cb -0.15 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1jkn s LEU 21 CO 0.18 0.32 -0.17 0.00 -1.32 0.00 0.00 176.35 175.36 1jkn s MET 22 N -1.45 1.32 0.51 1.98 0.23 0.31 0.11 119.30 122.31 1jkn s MET 22 Ca 0.20 -1.50 0.06 0.00 -1.03 0.00 0.00 55.69 53.42 1jkn s MET 22 Cb -0.12 -1.29 0.04 0.00 -1.53 0.00 0.00 34.83 31.93 1jkn s MET 22 CO 0.10 0.24 0.70 1.21 -2.03 0.00 0.00 175.02 175.25 1jkn s ASN 23 N -2.96 5.34 0.45 -1.18 2.47 -0.29 -1.79 114.94 116.97 1jkn s ASN 23 Ca 0.19 -0.43 0.31 0.00 0.42 0.00 0.00 52.86 53.36 1jkn s ASN 23 Cb -0.04 -0.43 1.57 0.00 -1.45 0.00 0.00 41.25 40.90 1jkn s ASN 23 CO 0.07 -1.07 1.94 -1.13 -3.72 0.00 0.00 177.10 173.20 1jkn h ASN 24 N 0.31 0.00 0.02 -4.21 -0.73 -1.91 0.29 115.58 109.35 1jkn h ASN 24 Ca -0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.79 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1jkn h ASN 24 CO 0.45 0.00 -0.03 0.47 -0.37 0.00 0.00 177.43 177.96 1jkn n ASP 25 N -2.63 1.37 0.00 1.15 8.00 -1.26 -4.91 116.55 118.26 1jkn n ASP 25 Ca -0.01 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1jkn n ASP 25 Cb 0.12 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.02 0.00 -2.74 -1.24 5.02 0.09 -5.06 118.16 114.25 1jkn n LYS 26 Ca 0.19 0.24 -0.20 0.00 -2.02 0.00 0.00 58.31 56.52 1jkn n LYS 26 Cb 0.34 -3.57 0.04 0.00 -0.02 0.00 0.00 35.03 31.82 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 -2.85 2.54 -0.18 1.97 1.02 -1.25 -4.77 119.74 116.21 1jkn s LYS 27 Ca 0.00 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 1jkn s LYS 27 Cb 0.00 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1jkn s LYS 27 CO 0.00 -0.67 -0.06 0.42 -0.92 0.00 0.00 175.35 174.12 1jkn s ILE 28 N -2.68 3.46 -0.28 2.17 1.09 0.25 -1.14 121.20 124.06 1jkn s ILE 28 Ca 0.58 -0.49 -0.28 0.00 -1.10 0.00 0.00 60.65 59.36 1jkn s ILE 28 Cb -0.10 -2.53 -0.06 0.00 -1.06 0.00 0.00 42.46 38.72 1jkn s ILE 28 CO 0.38 0.46 2.27 0.33 -0.10 0.00 0.00 174.94 178.28 1jkn n PHE 29 N 4.14 1.84 -5.01 3.97 7.35 0.31 -2.90 117.46 127.16 1jkn n PHE 29 Ca -0.18 -0.07 -0.32 0.00 -0.76 0.00 0.00 57.45 56.12 1jkn n PHE 29 Cb 0.52 -2.71 -0.15 0.00 0.35 0.00 0.00 39.48 37.49 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 9.15 2.40 -0.06 3.13 0.00 -0.71 -4.62 121.76 131.06 1jkn s ALA 30 Ca 1.01 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1jkn s ALA 30 Cb -0.31 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1jkn s ALA 30 CO 0.34 0.31 -0.19 0.00 0.00 0.00 0.00 175.76 176.21 1jkn s ALA 31 N 0.21 2.44 0.49 0.00 0.00 0.11 0.19 121.76 125.20 1jkn s ALA 31 Ca -0.12 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 1jkn s ALA 31 Cb -0.16 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 1jkn s ALA 31 CO 0.06 0.48 0.91 -1.54 0.00 0.00 0.00 175.76 175.67 1jkn s SER 32 N -0.43 6.52 0.66 0.00 1.04 0.18 -0.06 113.70 121.62 1jkn s SER 32 Ca 0.05 1.38 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 1jkn s SER 32 Cb -0.12 -2.43 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1jkn s SER 32 CO 0.02 -0.56 1.07 -0.13 0.98 0.00 0.00 173.24 174.61 1jkn s ARG 33 N -4.17 2.98 0.00 4.02 0.52 0.44 -1.74 118.95 121.00 1jkn s ARG 33 Ca 0.55 1.14 0.25 0.00 -0.52 0.00 0.00 55.73 57.15 1jkn s ARG 33 Cb -0.10 -1.99 0.56 0.00 0.52 0.00 0.00 34.95 33.94 1jkn s ARG 33 CO 0.35 -1.08 1.45 1.28 0.02 0.00 0.00 175.30 177.32 1jkn n LEU 34 N -2.66 1.28 0.00 2.53 4.77 -0.99 -4.01 117.00 117.92 1jkn n LEU 34 Ca 0.09 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1jkn n LEU 34 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jkn n LEU 34 CO 0.51 0.24 -0.29 -0.67 -1.33 0.00 0.00 177.39 175.85 1jkn n ASP 35 N -0.49 2.92 -4.10 -1.43 2.03 -1.26 -4.95 116.55 109.26 1jkn n ASP 35 Ca 0.11 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 55.09 1jkn n ASP 35 Cb 0.38 0.60 -0.15 0.00 -0.72 0.00 0.00 41.12 41.23 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jkn s ILE 36 N -1.19 2.28 0.18 5.18 1.01 -1.26 -5.10 121.20 122.31 1jkn s ILE 36 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 58.91 1jkn s ILE 36 Cb 0.00 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.12 1jkn s ILE 36 CO 0.00 0.10 1.51 -2.16 0.00 0.00 0.00 174.94 174.38 1jkn s PRO 37 N 1.17 4.24 0.00 2.79 0.04 -1.26 -1.93 135.00 140.05 1jkn s PRO 37 Ca -0.05 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.06 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.98 1jkn n ASP 38 N 3.49 -1.43 -4.44 6.66 -0.08 -1.26 -4.97 116.55 114.52 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.96 1jkn n ASP 38 Cb 0.39 -0.63 -0.04 0.00 2.34 0.00 0.00 41.12 43.19 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 -2.83 3.22 0.19 -1.67 0.00 -0.81 -4.97 121.76 114.88 1jkn s ALA 39 Ca 0.00 -2.15 0.04 0.00 0.00 0.00 0.00 51.96 49.86 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 0.24 -1.58 0.00 0.00 0.00 175.76 171.65 1jkn s TRP 40 N 3.50 3.32 0.12 0.00 0.52 -1.26 0.16 118.94 125.32 1jkn s TRP 40 Ca 0.23 0.02 -0.15 0.00 0.02 0.00 0.00 56.10 56.22 1jkn s TRP 40 Cb -0.15 -1.56 0.05 0.00 -1.15 0.00 0.00 33.47 30.66 1jkn s TRP 40 CO 0.04 0.50 0.73 0.00 0.02 0.00 0.00 176.95 178.25 1jkn n GLN 41 N -0.74 0.44 -4.23 4.98 10.64 0.92 -4.55 117.38 124.83 1jkn n GLN 41 Ca -0.08 -1.01 -0.26 0.00 -1.83 0.00 0.00 57.00 53.82 1jkn n GLN 41 Cb 0.55 1.38 -0.08 0.00 -0.86 0.00 0.00 30.24 31.23 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 2.33 0.19 2.61 -1.94 -1.26 0.07 119.30 119.26 1jkn s MET 42 Ca 0.16 -1.17 -0.31 0.00 -1.71 0.00 0.00 55.69 52.66 1jkn s MET 42 Cb -0.02 -2.30 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 1jkn s MET 42 CO 0.04 0.44 1.53 -1.25 -0.01 0.00 0.00 175.02 175.77 1jkn s PRO 43 N -3.01 4.23 0.18 2.03 0.04 -1.26 -4.91 135.00 132.30 1jkn s PRO 43 Ca 0.27 2.35 -0.16 0.00 0.04 0.00 0.00 61.00 63.51 1jkn s PRO 43 Cb -0.09 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1jkn s PRO 43 CO 0.18 -0.55 0.47 1.14 0.04 0.00 0.00 177.00 178.28 1jkn s GLN 44 N 0.62 1.31 0.14 4.56 -2.07 -1.26 -1.19 119.66 121.77 1jkn s GLN 44 Ca 0.67 -0.89 -0.15 0.00 -1.82 0.00 0.00 55.36 53.17 1jkn s GLN 44 Cb -0.43 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.00 1jkn s GLN 44 CO 0.36 -0.54 0.39 0.20 -1.32 0.00 0.00 175.29 174.37 1jkn s GLY 45 N -2.88 -0.11 -0.18 2.60 0.00 -0.30 -4.97 107.32 101.49 1jkn s GLY 45 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1jkn s GLY 45 CO -0.04 -0.41 1.69 0.61 0.00 0.00 0.00 173.10 174.95 1jkn n GLY 46 N -0.23 3.21 1.10 0.20 0.00 -1.26 0.97 105.19 109.19 1jkn n GLY 46 Ca -0.14 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.43 1jkn n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jkn n ILE 47 N 0.41 -0.64 -2.85 -0.61 5.41 -1.21 -4.28 119.36 115.58 1jkn n ILE 47 Ca 0.19 0.61 -0.25 0.00 1.00 0.00 0.00 62.75 64.30 1jkn n ILE 47 Cb 0.69 -0.92 0.01 0.00 -0.71 0.00 0.00 39.64 38.71 1jkn n ILE 47 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1jkn s ASP 48 N -6.36 6.01 -0.62 4.38 1.11 -1.26 -4.95 116.67 114.98 1jkn s ASP 48 Ca 0.00 0.59 -0.27 0.00 0.18 0.00 0.00 52.55 53.05 1jkn s ASP 48 Cb 0.00 -1.88 -0.11 0.00 1.07 0.00 0.00 42.92 42.00 1jkn s ASP 48 CO 0.00 -0.65 2.47 -0.62 1.18 0.00 0.00 175.17 177.56 1jkn n GLU 49 N -2.17 0.78 -2.68 8.23 -0.58 -1.26 -1.00 120.64 121.97 1jkn n GLU 49 Ca 0.00 -0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.62 1jkn n GLU 49 Cb 0.57 -3.03 0.03 0.00 -0.57 0.00 0.00 31.44 28.43 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 6.15 0.25 3.49 0.62 0.00 -1.26 -5.05 105.19 109.39 1jkn n GLY 50 Ca 0.44 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.89 2.24 0.33 1.61 2.12 -0.17 -5.12 118.70 114.82 1jkn s GLU 51 Ca 0.09 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.26 1jkn s GLU 51 Cb -0.04 -2.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.97 1jkn s GLU 51 CO 0.27 0.56 1.03 0.16 -0.54 0.00 0.00 175.26 176.74 1jkn s ASP 52 N -1.34 7.14 0.08 -1.70 -4.77 -1.26 -4.67 116.67 110.15 1jkn s ASP 52 Ca 0.15 2.05 -0.24 0.00 -3.30 0.00 0.00 52.55 51.21 1jkn s ASP 52 Cb -0.11 -2.60 -0.09 0.00 -1.09 0.00 0.00 42.92 39.03 1jkn s ASP 52 CO 0.05 -0.22 1.39 -0.65 0.70 0.00 0.00 175.17 176.45 1jkn h PRO 53 N 3.24 -0.40 -1.24 2.11 0.11 -1.98 0.22 132.00 134.06 1jkn h PRO 53 Ca -0.47 0.03 0.36 0.00 0.11 0.00 0.00 66.00 66.03 1jkn h PRO 53 Cb 1.21 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1jkn h PRO 53 CO 0.65 -0.27 0.84 -0.09 -0.21 0.00 0.00 178.00 178.93 1jkn h ARG 54 N -0.41 0.15 0.06 1.05 9.65 -1.94 0.40 114.38 123.35 1jkn h ARG 54 Ca 0.02 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.75 1jkn h ARG 54 Cb 0.48 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1jkn h ARG 54 CO -0.31 0.10 -0.73 -0.91 2.80 0.00 0.00 179.97 180.92 1jkn h ASN 55 N 0.16 0.21 -0.62 -3.80 2.35 -1.72 -2.61 115.58 109.55 1jkn h ASN 55 Ca 0.67 -0.88 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1jkn h ASN 55 Cb 2.22 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 40.49 1jkn h ASN 55 CO -0.21 1.32 0.41 0.00 -1.65 0.00 0.00 177.43 177.30 1jkn h ALA 56 N -0.06 1.80 0.19 -0.83 0.00 0.12 0.42 119.26 120.90 1jkn h ALA 56 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1jkn h ALA 56 Cb 1.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jkn h ALA 56 CO 0.02 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.28 1jkn h ALA 57 N 1.66 -0.26 -0.23 0.00 0.00 -0.40 0.93 119.26 120.97 1jkn h ALA 57 Ca 0.27 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1jkn h ALA 57 Cb 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jkn h ALA 57 CO -0.08 -0.34 0.17 0.82 0.00 0.00 0.00 179.25 179.81 1jkn h ILE 58 N -0.86 0.86 0.00 0.00 2.04 -1.09 0.11 117.51 118.58 1jkn h ILE 58 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jkn h ILE 58 Cb 0.51 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1jkn h ILE 58 CO 0.04 0.00 -0.09 -0.09 0.00 0.00 0.00 178.15 178.01 1jkn h ARG 59 N 0.00 0.00 -0.97 2.37 2.43 -0.13 -3.30 114.38 114.77 1jkn h ARG 59 Ca 0.11 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.48 1jkn h ARG 59 Cb 0.44 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.88 1jkn h ARG 59 CO -0.00 0.64 0.56 0.93 -1.51 0.00 0.00 179.97 180.59 1jkn h GLU 60 N -1.00 0.65 0.16 0.20 4.39 0.14 -1.37 114.58 117.74 1jkn h GLU 60 Ca -0.02 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1jkn h GLU 60 Cb 0.68 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1jkn h GLU 60 CO -0.01 0.43 -0.22 1.25 -1.16 0.00 0.00 179.01 179.29 1jkn h LEU 61 N 0.67 -0.61 -0.41 1.33 5.85 -0.92 0.38 115.31 121.60 1jkn h LEU 61 Ca 0.58 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1jkn h LEU 61 Cb 0.96 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1jkn h LEU 61 CO -0.42 -0.32 0.00 -1.14 -0.34 0.00 0.00 178.44 176.23 1jkn n ARG 62 N -5.35 0.06 -0.02 1.25 0.63 -0.59 0.02 116.66 112.66 1jkn n ARG 62 Ca -0.07 0.46 -0.21 0.00 -0.92 0.00 0.00 57.85 57.11 1jkn n ARG 62 Cb 0.26 -1.65 -0.14 0.00 0.45 0.00 0.00 32.46 31.38 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 -1.76 0.74 0.02 -0.14 1.02 0.41 -1.46 120.64 119.47 1jkn n GLU 63 Ca 0.01 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.22 1jkn n GLU 63 Cb 0.08 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 1jkn n GLU 63 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jkn h GLU 64 N 0.05 0.21 0.00 3.49 3.07 0.14 -3.31 114.58 118.23 1jkn h GLU 64 Ca -0.45 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.03 1jkn h GLU 64 Cb 2.01 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 30.05 1jkn h GLU 64 CO 0.06 1.03 -1.13 0.25 -1.40 0.00 0.00 179.01 177.82 1jkn n THR 65 N -3.38 0.07 -0.96 1.13 -2.24 0.10 -4.03 114.28 104.97 1jkn n THR 65 Ca -0.23 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jkn n THR 65 Cb 1.05 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.58 0.49 3.59 3.38 0.00 -0.13 0.14 105.19 115.23 1jkn n GLY 66 Ca -0.02 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 -2.52 0.40 -0.02 1.61 0.31 -1.25 -4.78 118.33 112.08 1jkn n VAL 67 Ca 0.00 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 1jkn n VAL 67 Cb 0.09 -2.34 -0.14 0.00 -0.91 0.00 0.00 33.84 30.54 1jkn n VAL 67 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jkn n THR 68 N 7.17 1.65 -2.69 2.52 -2.24 -1.26 -4.35 114.28 115.08 1jkn n THR 68 Ca 0.30 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1jkn n THR 68 Cb 0.40 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1jkn n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jkn n SER 69 N -3.18 5.22 -3.73 3.42 7.64 -1.26 -4.90 113.62 116.82 1jkn n SER 69 Ca -0.24 -3.06 -0.12 0.00 1.01 0.00 0.00 58.87 56.46 1jkn n SER 69 Cb 1.06 -1.51 -0.11 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 0.78 -0.82 0.08 -0.43 0.00 -1.26 0.10 121.76 120.21 1jkn s ALA 70 Ca 0.41 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.59 1jkn s ALA 70 Cb 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1jkn s ALA 70 CO 0.00 -0.21 -0.19 -1.21 0.00 0.00 0.00 175.76 174.16 1jkn s GLU 71 N 0.91 1.08 -0.05 0.00 2.02 -0.85 -4.90 118.70 116.91 1jkn s GLU 71 Ca -0.06 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 1jkn s GLU 71 Cb -0.07 -1.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 1jkn s GLU 71 CO -0.07 0.29 1.10 0.08 0.02 0.00 0.00 175.26 176.68 1jkn s VAL 72 N -1.09 4.51 -0.04 2.63 1.01 -1.25 0.13 120.40 126.30 1jkn s VAL 72 Ca 0.04 1.81 0.14 0.00 0.00 0.00 0.00 61.98 63.97 1jkn s VAL 72 Cb -0.10 -4.16 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 1jkn s VAL 72 CO 0.03 0.04 0.31 -0.38 0.00 0.00 0.00 175.10 175.10 1jkn n ILE 73 N 4.39 0.00 -3.54 2.22 2.08 0.28 -4.88 119.36 119.92 1jkn n ILE 73 Ca 0.09 -0.31 -0.11 0.00 0.56 0.00 0.00 62.75 62.98 1jkn n ILE 73 Cb 0.48 0.21 -0.03 0.00 -0.75 0.00 0.00 39.64 39.55 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 -2.93 -1.31 -0.17 -1.39 0.00 -1.14 -4.95 121.76 109.87 1jkn s ALA 74 Ca -0.05 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 1jkn s ALA 74 Cb 0.09 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.12 1jkn s ALA 74 CO 0.57 -0.75 0.34 -1.83 0.00 0.00 0.00 175.76 174.09 1jkn s GLU 75 N -3.79 0.24 0.06 0.00 -1.05 -1.26 0.15 118.70 113.05 1jkn s GLU 75 Ca 0.03 0.83 -0.33 0.00 -0.15 0.00 0.00 54.97 55.35 1jkn s GLU 75 Cb -0.00 0.04 -0.12 0.00 -0.44 0.00 0.00 34.13 33.60 1jkn s GLU 75 CO -0.11 -0.32 1.79 0.28 0.95 0.00 0.00 175.26 177.86 1jkn n VAL 76 N 5.37 0.37 0.27 1.83 0.31 -0.63 -4.83 118.33 121.02 1jkn n VAL 76 Ca -0.07 -0.07 0.17 0.00 -0.01 0.00 0.00 64.34 64.37 1jkn n VAL 76 Cb 0.50 -1.90 0.92 0.00 -0.91 0.00 0.00 33.84 32.45 1jkn n VAL 76 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jkn h PRO 77 N 8.20 0.00 0.00 5.55 0.13 -1.99 -3.44 132.00 140.45 1jkn h PRO 77 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 1jkn h PRO 77 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1jkn h PRO 77 CO 0.93 0.00 -0.28 2.48 -0.23 0.00 0.00 178.00 180.90 1jkn n TYR 78 N -2.72 0.50 -4.07 1.56 0.18 -1.26 -4.93 117.16 106.42 1jkn n TYR 78 Ca -0.02 -1.49 -0.32 0.00 1.88 0.00 0.00 57.90 57.95 1jkn n TYR 78 Cb 0.11 -0.14 -0.07 0.00 -0.38 0.00 0.00 39.34 38.87 1jkn n TYR 78 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1jkn s TRP 79 N -2.19 3.27 -0.30 -3.48 0.52 0.38 -4.60 118.94 112.54 1jkn s TRP 79 Ca 0.04 0.17 -0.10 0.00 0.02 0.00 0.00 56.10 56.23 1jkn s TRP 79 Cb 0.00 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1jkn s TRP 79 CO 0.03 0.54 0.15 -0.51 0.02 0.00 0.00 176.95 177.18 1jkn s LEU 80 N -2.04 3.99 -0.11 2.99 2.01 0.34 -0.01 118.68 125.85 1jkn s LEU 80 Ca 0.26 -0.37 0.01 0.00 0.01 0.00 0.00 54.13 54.04 1jkn s LEU 80 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 1jkn s LEU 80 CO 0.18 -0.14 -0.13 0.42 1.01 0.00 0.00 176.35 177.69 1jkn s THR 81 N 1.64 3.10 0.25 5.49 -4.23 -1.26 -0.17 115.64 120.46 1jkn s THR 81 Ca 0.05 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1jkn s THR 81 Cb -0.16 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1jkn s THR 81 CO 0.07 0.54 0.11 -0.72 -0.54 0.00 0.00 174.62 174.08 1jkn s TYR 82 N 0.01 1.46 0.12 3.99 1.13 -1.25 -4.89 117.35 117.92 1jkn s TYR 82 Ca -0.04 -1.23 0.04 0.00 -1.41 0.00 0.00 57.07 54.43 1jkn s TYR 82 Cb -0.14 -0.83 -0.04 0.00 -1.10 0.00 0.00 41.96 39.85 1jkn s TYR 82 CO 0.04 -0.41 -0.10 -0.51 -2.51 0.00 0.00 175.55 172.06 1jkn s ASP 83 N -3.28 1.64 0.13 -0.18 1.01 -1.26 -3.38 116.67 111.35 1jkn s ASP 83 Ca 0.38 -0.93 0.05 0.00 0.71 0.00 0.00 52.55 52.76 1jkn s ASP 83 Cb 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 1jkn s ASP 83 CO 0.13 -0.31 0.04 -0.36 0.21 0.00 0.00 175.17 174.89 1jkn s PHE 84 N -2.99 3.02 1.07 4.23 0.08 -1.24 -4.93 117.98 117.22 1jkn s PHE 84 Ca 0.12 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 57.00 1jkn s PHE 84 Cb 0.01 -1.50 0.23 0.00 -0.57 0.00 0.00 43.02 41.18 1jkn s PHE 84 CO 0.00 0.50 1.08 -1.25 -0.10 0.00 0.00 175.22 175.45 1jkn s PRO 85 N -2.67 -0.16 0.32 0.24 0.04 -1.26 -4.51 135.00 126.99 1jkn s PRO 85 Ca 0.28 0.48 0.23 0.00 0.04 0.00 0.00 61.00 62.02 1jkn s PRO 85 Cb -0.11 -1.67 1.16 0.00 0.04 0.00 0.00 34.50 33.92 1jkn s PRO 85 CO 0.20 -3.12 1.69 -0.35 0.04 0.00 0.00 177.00 175.46 1jkn n PRO 86 N -4.44 0.16 -0.01 0.56 -0.04 -1.26 -0.01 135.00 129.96 1jkn n PRO 86 Ca 0.05 0.60 -0.18 0.00 -0.04 0.00 0.00 63.50 63.93 1jkn n PRO 86 Cb 0.57 -1.96 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 1jkn n PRO 86 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jkn n LYS 87 N -2.28 0.73 -0.05 0.54 2.85 -1.26 -3.01 118.16 115.67 1jkn n LYS 87 Ca -0.01 0.25 -0.13 0.00 -1.05 0.00 0.00 58.31 57.37 1jkn n LYS 87 Cb 0.08 -1.71 -0.12 0.00 -0.65 0.00 0.00 35.03 32.64 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1jkn h VAL 88 N 0.05 1.61 0.36 0.58 2.07 -1.75 -1.70 116.25 117.47 1jkn h VAL 88 Ca -0.41 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.14 1jkn h VAL 88 Cb 2.03 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 34.68 1jkn h VAL 88 CO 0.07 0.50 -0.50 -0.09 0.02 0.00 0.00 177.57 177.57 1jkn h ARG 89 N -0.87 -0.86 -0.36 1.57 9.65 -0.63 1.28 114.38 124.15 1jkn h ARG 89 Ca -0.00 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.04 1jkn h ARG 89 Cb 0.83 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1jkn h ARG 89 CO 0.00 -0.58 0.31 1.49 2.80 0.00 0.00 179.97 184.00 1jkn h GLU 90 N -0.90 0.00 0.15 0.20 4.81 -1.67 0.44 114.58 117.61 1jkn h GLU 90 Ca -0.04 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 1jkn h GLU 90 Cb 0.81 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.21 1jkn h GLU 90 CO -0.14 0.00 -1.11 -0.22 -0.73 0.00 0.00 179.01 176.82 1jkn h LYS 91 N 0.00 0.32 -0.35 1.92 3.11 -0.13 -3.33 116.57 118.10 1jkn h LYS 91 Ca 0.17 -0.54 -0.01 0.00 -2.81 0.00 0.00 60.65 57.46 1jkn h LYS 91 Cb 0.79 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 1jkn h LYS 91 CO -0.00 1.26 0.19 -0.07 -2.81 0.00 0.00 179.45 178.01 1jkn h LEU 92 N -0.28 0.44 -1.60 5.20 3.38 0.27 0.80 115.31 123.53 1jkn h LEU 92 Ca -0.21 -0.10 0.35 0.00 0.09 0.00 0.00 57.88 58.01 1jkn h LEU 92 Cb 1.76 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 1jkn h LEU 92 CO 0.14 0.41 0.82 0.78 0.09 0.00 0.00 178.44 180.68 1jkn h ASN 93 N 0.44 0.24 0.02 -0.43 2.35 -1.06 1.66 115.58 118.79 1jkn h ASN 93 Ca 0.12 0.07 -0.39 0.00 -0.55 0.00 0.00 56.30 55.55 1jkn h ASN 93 Cb 0.08 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1jkn h ASN 93 CO -0.02 -0.01 -2.21 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.47 1.55 0.13 2.81 5.41 -0.83 -2.79 119.36 121.18 1jkn n ILE 94 Ca 0.30 -0.40 -0.12 0.00 1.00 0.00 0.00 62.75 63.53 1jkn n ILE 94 Cb 1.19 -1.77 -0.07 0.00 -0.71 0.00 0.00 39.64 38.28 1jkn n ILE 94 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jkn h GLN 95 N -0.60 -0.37 0.05 0.38 4.15 0.14 -3.32 115.11 115.53 1jkn h GLN 95 Ca -0.57 0.03 -0.23 0.00 0.77 0.00 0.00 58.65 58.64 1jkn h GLN 95 Cb 1.69 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.44 1jkn h GLN 95 CO -0.23 -0.03 -1.09 -1.49 -1.93 0.00 0.00 178.83 174.05 1jkn h TRP 96 N -0.88 0.18 -1.54 3.99 4.06 0.20 -3.48 115.95 118.47 1jkn h TRP 96 Ca -0.04 -0.13 -0.09 0.00 2.06 0.00 0.00 58.89 60.70 1jkn h TRP 96 Cb 0.51 -0.01 0.02 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.04 1.10 -0.13 0.41 -3.56 0.00 0.00 178.44 176.30 1jkn n GLY 97 N 1.42 0.48 3.16 1.49 0.00 0.16 -4.98 105.19 106.92 1jkn n GLY 97 Ca -0.03 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -2.97 1.68 -0.83 1.61 0.01 -1.25 -4.99 113.70 106.96 1jkn s SER 98 Ca 0.08 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1jkn s SER 98 Cb -0.04 -0.08 0.24 0.00 0.21 0.00 0.00 66.02 66.35 1jkn s SER 98 CO 0.10 -0.02 0.85 0.47 0.41 0.00 0.00 173.24 175.06 1jkn n ASP 99 N 1.60 4.29 -4.19 2.44 9.92 -1.26 -3.85 116.55 125.51 1jkn n ASP 99 Ca -0.19 -3.28 -0.19 0.00 -0.53 0.00 0.00 54.79 50.59 1jkn n ASP 99 Cb 0.54 -0.94 -0.12 0.00 -0.64 0.00 0.00 41.12 39.97 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1jkn s TRP 100 N -1.96 1.31 0.07 1.24 0.52 -1.26 -5.02 118.94 113.84 1jkn s TRP 100 Ca 0.32 -0.45 0.09 0.00 0.02 0.00 0.00 56.10 56.08 1jkn s TRP 100 Cb 0.02 -0.73 -0.09 0.00 -1.15 0.00 0.00 33.47 31.52 1jkn s TRP 100 CO -0.06 0.08 1.35 0.87 0.02 0.00 0.00 176.95 179.21 1jkn h LYS 101 N 4.26 0.00 0.00 4.98 6.56 -1.79 -3.49 116.57 127.09 1jkn h LYS 101 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1jkn h LYS 101 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1jkn h LYS 101 CO 0.40 0.85 0.00 0.41 -2.06 0.00 0.00 179.45 179.05 1jkn n GLY 102 N 1.22 1.86 3.48 3.86 0.00 -1.26 -3.62 105.19 110.73 1jkn n GLY 102 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 3.27 0.51 -0.40 1.61 -0.21 -1.22 -2.83 119.66 120.40 1jkn s GLN 103 Ca 0.00 1.28 -0.25 0.00 0.02 0.00 0.00 55.36 56.41 1jkn s GLN 103 Cb 0.00 0.67 0.02 0.00 1.00 0.00 0.00 33.01 34.70 1jkn s GLN 103 CO 0.00 -0.27 0.88 0.00 -2.12 0.00 0.00 175.29 173.77 1jkn s ALA 104 N 2.81 3.35 -0.00 6.09 0.00 -1.21 -3.89 121.76 128.92 1jkn s ALA 104 Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1jkn s ALA 104 Cb -0.12 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1jkn s ALA 104 CO -0.18 -1.73 -0.20 1.14 0.00 0.00 0.00 175.76 174.79 1jkn s GLN 105 N 3.45 1.54 -0.68 0.00 -2.07 0.76 -3.00 119.66 119.65 1jkn s GLN 105 Ca 0.35 -0.76 -0.16 0.00 -1.82 0.00 0.00 55.36 52.97 1jkn s GLN 105 Cb -0.12 -1.52 0.15 0.00 -1.09 0.00 0.00 33.01 30.43 1jkn s GLN 105 CO 0.21 0.41 0.69 0.15 -1.32 0.00 0.00 175.29 175.43 1jkn s LYS 106 N -0.63 3.26 0.33 9.60 1.02 -1.23 0.13 119.74 132.22 1jkn s LYS 106 Ca 0.07 -1.87 -0.29 0.00 0.02 0.00 0.00 55.97 53.91 1jkn s LYS 106 Cb -0.08 -4.39 -0.11 0.00 -0.52 0.00 0.00 37.83 32.74 1jkn s LYS 106 CO -0.00 -1.41 1.44 -1.58 -0.92 0.00 0.00 175.35 172.88 1jkn s TRP 107 N 1.49 2.80 -0.07 3.18 0.52 -1.26 -3.80 118.94 121.80 1jkn s TRP 107 Ca 0.13 1.16 0.03 0.00 0.02 0.00 0.00 56.10 57.44 1jkn s TRP 107 Cb -0.20 -3.91 0.01 0.00 -1.15 0.00 0.00 33.47 28.22 1jkn s TRP 107 CO -0.01 -2.72 -0.17 -0.06 0.02 0.00 0.00 176.95 174.01 1jkn s PHE 108 N -0.82 1.90 0.03 -1.98 0.40 -0.49 -1.60 117.98 115.42 1jkn s PHE 108 Ca 0.54 -0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 1jkn s PHE 108 Cb -0.44 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1jkn s PHE 108 CO 0.55 -0.31 0.99 -1.17 0.70 0.00 0.00 175.22 175.99 1jkn s LEU 109 N 0.43 4.40 -0.10 -0.37 2.96 0.39 0.44 118.68 126.84 1jkn s LEU 109 Ca -0.14 1.71 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1jkn s LEU 109 Cb -0.16 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1jkn s LEU 109 CO 0.05 -0.23 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.34 1jkn s PHE 110 N 0.77 1.95 -0.18 5.38 0.40 0.56 0.10 117.98 126.95 1jkn s PHE 110 Ca 0.51 -0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 55.78 1jkn s PHE 110 Cb -0.22 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1jkn s PHE 110 CO 0.29 -0.42 0.59 0.21 0.70 0.00 0.00 175.22 176.58 1jkn s LYS 111 N 0.82 4.23 -0.03 0.44 2.47 0.34 -0.53 119.74 127.48 1jkn s LYS 111 Ca -0.10 0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 54.57 1jkn s LYS 111 Cb -0.16 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.61 1jkn s LYS 111 CO 0.01 -0.16 1.45 0.12 0.16 0.00 0.00 175.35 176.93 1jkn s PHE 112 N 1.64 2.66 -0.25 4.03 5.36 -0.74 -2.01 117.98 128.67 1jkn s PHE 112 Ca 0.28 0.70 0.11 0.00 -0.96 0.00 0.00 56.93 57.06 1jkn s PHE 112 Cb -0.16 -3.71 0.46 0.00 -0.34 0.00 0.00 43.02 39.27 1jkn s PHE 112 CO 0.11 -2.70 1.18 0.25 -1.46 0.00 0.00 175.22 172.60 1jkn n THR 113 N 4.91 2.13 -0.85 0.12 -2.24 0.28 -4.74 114.28 113.90 1jkn n THR 113 Ca 0.14 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 1jkn n THR 113 Cb 0.43 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1jkn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 114 N -0.71 5.50 3.26 3.38 0.00 -1.19 -4.77 105.19 110.67 1jkn n GLY 114 Ca 0.31 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 3.73 1.07 0.43 1.61 1.11 -1.26 -5.00 119.66 121.36 1jkn s GLN 115 Ca 0.00 -1.25 0.15 0.00 0.01 0.00 0.00 55.36 54.26 1jkn s GLN 115 Cb 0.00 -1.03 0.81 0.00 -1.01 0.00 0.00 33.01 31.78 1jkn s GLN 115 CO 0.00 0.21 1.37 -0.44 0.01 0.00 0.00 175.29 176.43 1jkn h ASP 116 N 3.55 0.00 1.51 5.90 3.32 -2.02 0.78 116.42 129.45 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 1.56 -1.72 0.00 0.00 179.24 179.57 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.20 -2.05 -3.09 115.11 117.74 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1jkn h GLN 117 Cb 0.81 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1jkn h GLN 117 CO 0.00 0.00 -0.50 1.49 -0.67 0.00 0.00 178.83 179.15 1jkn h GLU 118 N 0.00 0.00 -6.18 1.46 4.57 0.19 -3.43 114.58 111.19 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 0.76 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1jkn h GLU 118 CO 0.00 0.50 1.27 0.42 -1.18 0.00 0.00 179.01 180.03 1jkn s ILE 119 N -3.01 3.50 -0.40 2.32 1.01 -1.17 -3.94 121.20 119.50 1jkn s ILE 119 Ca 0.04 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1jkn s ILE 119 Cb 0.08 -3.92 0.11 0.00 0.01 0.00 0.00 42.46 38.74 1jkn s ILE 119 CO 0.74 -0.76 0.14 0.21 0.00 0.00 0.00 174.94 175.27 1jkn s ASN 120 N 6.60 4.43 0.63 3.58 2.47 0.37 -4.96 114.94 128.07 1jkn s ASN 120 Ca 0.69 -2.43 0.30 0.00 0.42 0.00 0.00 52.86 51.85 1jkn s ASN 120 Cb -0.16 -1.49 1.65 0.00 -1.45 0.00 0.00 41.25 39.80 1jkn s ASN 120 CO 0.27 -0.32 1.98 -0.07 -3.72 0.00 0.00 177.10 175.23 1jkn h LEU 121 N 7.22 0.00 0.77 3.21 3.38 -1.73 -1.95 115.31 126.20 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 0.57 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.65 1jkn h LEU 122 N 0.00 -0.88 0.00 1.67 3.38 -1.85 -3.33 115.31 114.30 1jkn h LEU 122 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jkn h LEU 122 Cb 0.73 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.70 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 -1.02 0.82 2.00 0.83 0.00 -0.74 -3.51 105.19 103.57 1jkn n GLY 123 Ca -0.13 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 6.45 -0.99 1.61 5.75 -0.53 -4.64 116.55 127.20 1jkn n ASP 124 Ca 0.00 -3.27 -0.10 0.00 -0.01 0.00 0.00 54.79 51.42 1jkn n ASP 124 Cb 0.00 -0.99 -0.01 0.00 -1.03 0.00 0.00 41.12 39.08 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkn n GLY 125 N -0.12 0.30 0.76 6.12 0.00 -1.26 -4.92 105.19 106.07 1jkn n GLY 125 Ca 0.40 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jkn n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 126 N 0.26 0.14 -4.96 1.61 7.64 -1.26 -5.09 113.62 111.97 1jkn n SER 126 Ca -0.11 0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.57 1jkn n SER 126 Cb 0.51 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jkn s GLU 127 N -1.13 3.02 0.37 1.43 0.41 -1.26 -5.09 118.70 116.45 1jkn s GLU 127 Ca -0.01 -0.57 -0.20 0.00 -0.41 0.00 0.00 54.97 53.78 1jkn s GLU 127 Cb 0.00 -2.58 -0.10 0.00 -1.78 0.00 0.00 34.13 29.67 1jkn s GLU 127 CO 0.01 -0.28 0.87 -1.59 -0.49 0.00 0.00 175.26 173.78 1jkn s LYS 128 N -4.54 4.21 0.07 1.61 0.00 -1.26 -4.56 119.74 115.26 1jkn s LYS 128 Ca 0.49 1.00 -0.36 0.00 0.00 0.00 0.00 55.97 57.11 1jkn s LYS 128 Cb -0.10 -2.37 -0.15 0.00 0.00 0.00 0.00 37.83 35.20 1jkn s LYS 128 CO 0.37 0.09 1.51 -2.30 0.00 0.00 0.00 175.35 175.02 1jkn n PRO 129 N -0.32 1.59 -0.05 1.78 -0.02 -1.23 -4.89 135.00 131.86 1jkn n PRO 129 Ca 0.05 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.05 1jkn n PRO 129 Cb 0.53 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1jkn n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkn n GLU 130 N 3.43 1.98 -4.26 -0.52 -0.58 -1.25 -4.98 120.64 114.46 1jkn n GLU 130 Ca 0.19 -0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.68 1jkn n GLU 130 Cb 0.23 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 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 -2.32 2.78 -0.01 -0.32 0.08 -1.26 -2.35 117.98 114.57 1jkn s PHE 131 Ca -0.06 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1jkn s PHE 131 Cb 0.04 -1.24 -0.08 0.00 -0.57 0.00 0.00 43.02 41.17 1jkn s PHE 131 CO 0.48 0.59 0.10 0.41 -0.10 0.00 0.00 175.22 176.70 1jkn n GLY 132 N -0.86 -0.23 3.61 4.36 0.00 -0.71 -4.67 105.19 106.68 1jkn n GLY 132 Ca -0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.32 1.81 0.09 1.61 0.41 -1.25 -5.00 118.70 114.05 1jkn s GLU 133 Ca -0.02 -1.45 -0.25 0.00 -0.41 0.00 0.00 54.97 52.85 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.94 1jkn s GLU 133 CO 0.21 -0.78 0.60 1.67 -0.49 0.00 0.00 175.26 176.47 1jkn s TRP 134 N -3.37 -0.54 0.16 1.61 1.48 -1.26 0.50 118.94 117.52 1jkn s TRP 134 Ca 0.23 0.54 -0.18 0.00 -1.06 0.00 0.00 56.10 55.63 1jkn s TRP 134 Cb -0.02 0.47 0.04 0.00 -1.16 0.00 0.00 33.47 32.80 1jkn s TRP 134 CO 0.13 -0.75 0.49 0.45 -4.06 0.00 0.00 176.95 173.21 1jkn s SER 135 N -2.22 -0.31 -0.20 -2.66 0.15 0.13 -4.96 113.70 103.62 1jkn s SER 135 Ca -0.03 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.14 1jkn s SER 135 Cb -0.01 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1jkn s SER 135 CO -0.05 -0.96 0.42 0.26 1.20 0.00 0.00 173.24 174.11 1jkn s TRP 136 N -3.82 3.37 0.04 3.44 0.52 -1.26 -1.74 118.94 119.49 1jkn s TRP 136 Ca 0.05 0.64 0.02 0.00 0.02 0.00 0.00 56.10 56.83 1jkn s TRP 136 Cb 0.00 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1jkn s TRP 136 CO -0.08 -0.03 -0.07 0.14 0.02 0.00 0.00 176.95 176.92 1jkn s VAL 137 N 1.40 0.49 0.74 4.03 -7.23 -1.14 -4.87 120.40 113.80 1jkn s VAL 137 Ca 0.20 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 1jkn s VAL 137 Cb -0.15 -0.65 0.04 0.00 0.56 0.00 0.00 36.38 36.17 1jkn s VAL 137 CO 0.08 -0.44 1.09 0.42 -0.31 0.00 0.00 175.10 175.94 1jkn s THR 138 N -1.60 3.38 0.62 5.32 -4.23 -1.26 0.87 115.64 118.74 1jkn s THR 138 Ca -0.09 0.50 0.33 0.00 -1.18 0.00 0.00 61.69 61.25 1jkn s THR 138 Cb -0.09 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 71.08 1jkn s THR 138 CO -0.00 -0.54 2.02 1.55 -0.54 0.00 0.00 174.62 177.11 1jkn h PRO 139 N -0.79 0.00 0.06 3.99 0.13 -1.95 0.27 132.00 133.70 1jkn h PRO 139 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1jkn h PRO 139 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.53 0.00 -1.79 0.93 -0.23 0.00 0.00 178.00 177.43 1jkn h GLU 140 N 0.00 0.12 0.01 0.86 4.39 -1.99 -3.23 114.58 114.75 1jkn h GLU 140 Ca 0.00 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1jkn h GLU 140 Cb 0.46 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1jkn h GLU 140 CO 0.00 0.83 -0.01 1.96 -1.16 0.00 0.00 179.01 180.64 1jkn h GLN 141 N 0.03 -0.02 -0.58 2.33 1.08 -0.96 -2.80 115.11 114.19 1jkn h GLN 141 Ca -0.33 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1jkn h GLN 141 Cb 2.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1jkn h GLN 141 CO 0.09 0.58 0.41 1.25 -0.95 0.00 0.00 178.83 180.22 1jkn h LEU 142 N -0.64 0.03 -1.15 1.46 5.85 -0.88 1.02 115.31 121.01 1jkn h LEU 142 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jkn h LEU 142 Cb 0.61 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1jkn h LEU 142 CO 0.00 0.02 -0.40 0.40 -0.34 0.00 0.00 178.44 178.12 1jkn h ILE 143 N 0.03 1.13 0.00 4.05 1.08 -1.55 -0.52 117.51 121.74 1jkn h ILE 143 Ca 0.27 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.30 1jkn h ILE 143 Cb 1.05 1.80 -0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1jkn h ILE 143 CO -0.01 0.39 -0.09 -0.78 -0.69 0.00 0.00 178.15 176.96 1jkn h ASP 144 N 0.00 0.00 0.25 1.72 1.82 0.13 -3.25 116.42 117.09 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.29 1jkn h ASP 144 Cb 0.77 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.80 1jkn h ASP 144 CO 0.05 0.07 -1.66 -0.07 -1.61 0.00 0.00 179.24 176.02 1jkn h LEU 145 N 0.00 0.64-10.18 2.28 3.38 -0.62 -3.47 115.31 107.34 1jkn h LEU 145 Ca -0.00 -0.87 -0.48 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.06 -0.21 0.21 0.00 0.09 0.00 0.00 40.66 41.81 1jkn h LEU 145 CO 0.01 1.72 0.07 0.41 0.09 0.00 0.00 178.44 180.74 1jkn n THR 146 N -3.60 0.00 -3.52 0.22 -1.04 -0.26 -4.49 114.28 101.59 1jkn n THR 146 Ca -0.22 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.05 61.35 1jkn n THR 146 Cb 1.08 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 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 -2.52 5.04 0.29 12.58 0.11 -1.26 -4.87 120.40 129.77 1jkn s VAL 147 Ca 0.67 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1jkn s VAL 147 Cb -0.24 -3.82 0.28 0.00 -1.53 0.00 0.00 36.38 31.08 1jkn s VAL 147 CO 0.62 -0.47 1.73 -0.33 -3.33 0.00 0.00 175.10 173.32 1jkn h GLU 148 N 0.85 0.52 -0.02 1.54 4.39 -1.95 0.48 114.58 120.39 1jkn h GLU 148 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1jkn h GLU 148 Cb 1.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jkn h GLU 148 CO 0.61 0.34 0.00 1.97 -1.16 0.00 0.00 179.01 180.77 1jkn n PHE 149 N -4.94 0.02 -0.49 4.33 1.16 -1.26 -3.22 117.46 113.06 1jkn n PHE 149 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 1jkn n PHE 149 Cb 0.62 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.49 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 -0.71 0.72 0.31 3.97 5.02 0.13 -4.54 118.16 123.06 1jkn n LYS 150 Ca 0.17 -0.71 -0.12 0.00 -2.02 0.00 0.00 58.31 55.63 1jkn n LYS 150 Cb 0.11 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.77 -0.47 1.97 1.57 -0.57 -2.51 116.57 115.79 1jkn h LYS 151 Ca 0.00 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1jkn h LYS 151 Cb 0.54 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1jkn h LYS 151 CO 0.00 -0.51 0.26 -1.00 -0.57 0.00 0.00 179.45 177.63 1jkn h PRO 152 N -0.95 0.50 -0.57 3.15 0.13 -1.88 0.59 132.00 132.97 1jkn h PRO 152 Ca -0.08 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.18 1jkn h PRO 152 Cb 0.61 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1jkn h PRO 152 CO 0.13 0.33 0.42 0.28 -0.23 0.00 0.00 178.00 178.94 1jkn h VAL 153 N 0.51 0.68 0.00 1.56 2.07 -1.83 0.23 116.25 119.47 1jkn h VAL 153 Ca 0.20 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.50 1jkn h VAL 153 Cb 0.07 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1jkn h VAL 153 CO -0.12 0.00 -1.28 -1.22 0.02 0.00 0.00 177.57 174.98 1jkn n TYR 154 N -4.31 0.90 -0.23 1.57 4.02 -0.60 -3.77 117.16 114.74 1jkn n TYR 154 Ca 0.11 0.39 0.24 0.00 -0.01 0.00 0.00 57.90 58.63 1jkn n TYR 154 Cb 0.66 -1.04 0.61 0.00 -0.02 0.00 0.00 39.34 39.54 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 0.22 -0.25 -0.72 3.64 0.59 0.38 116.57 119.43 1jkn h LYS 155 Ca -0.33 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1jkn h LYS 155 Cb 1.22 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jkn h LYS 155 CO -0.20 0.14 0.07 1.49 -2.27 0.00 0.00 179.45 178.68 1jkn h GLU 156 N 0.22 0.39 0.06 1.90 4.57 -0.71 0.81 114.58 121.82 1jkn h GLU 156 Ca 0.47 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1jkn h GLU 156 Cb 1.47 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1jkn h GLU 156 CO -0.12 0.48 -0.06 0.28 -1.18 0.00 0.00 179.01 178.42 1jkn h VAL 157 N 0.23 0.87 -0.03 0.32 2.07 -0.41 0.99 116.25 120.28 1jkn h VAL 157 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jkn h VAL 157 Cb 0.26 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jkn h VAL 157 CO -0.00 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.53 1jkn h LEU 158 N -0.13 0.05 -0.71 2.57 3.38 -1.02 -0.22 115.31 119.23 1jkn h LEU 158 Ca 0.00 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 57.97 1jkn h LEU 158 Cb 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1jkn h LEU 158 CO -0.02 0.18 0.23 -1.28 0.09 0.00 0.00 178.44 177.64 1jkn h SER 159 N -0.09 0.15 0.81 -0.43 0.87 0.86 1.75 113.55 117.47 1jkn h SER 159 Ca 0.01 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1jkn h SER 159 Cb 0.15 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1jkn h SER 159 CO -0.00 0.05 -0.27 0.58 -0.53 0.00 0.00 176.83 176.66 1jkn h VAL 160 N 0.36 0.70 -0.56 2.23 2.07 -0.57 -2.74 116.25 117.74 1jkn h VAL 160 Ca 0.39 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1jkn h VAL 160 Cb 0.60 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1jkn h VAL 160 CO -0.42 0.27 0.00 0.49 0.02 0.00 0.00 177.57 177.92 1jkn n PHE 161 N -3.49 1.02 0.08 1.57 3.72 0.16 -4.64 117.46 115.86 1jkn n PHE 161 Ca -0.00 -0.57 -0.12 0.00 -0.05 0.00 0.00 57.45 56.70 1jkn n PHE 161 Cb 0.44 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.42 -0.48 -0.12 4.37 0.00 0.27 -0.75 119.26 125.97 1jkn h ALA 162 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jkn h ALA 162 Cb 1.12 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1jkn h ALA 162 CO 0.10 -0.83 0.30 -1.00 0.00 0.00 0.00 179.25 177.81 1jkn h PRO 163 N -0.48 0.00 0.00 0.00 0.13 -1.82 0.37 132.00 130.19 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 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1jkn h PRO 163 CO -0.24 0.00 -1.06 0.72 -0.23 0.00 0.00 178.00 177.19 1jkn n HIS 164 N -3.25 0.68 0.42 1.56 8.25 -0.41 -5.24 115.22 117.23 1jkn n HIS 164 Ca 0.01 0.20 0.05 0.00 -0.26 0.00 0.00 57.72 57.71 1jkn n HIS 164 Cb 0.39 -0.77 0.04 0.00 1.12 0.00 0.00 29.99 30.77 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26