#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn n PRO 2 N 0.00 -0.54 -1.56 1.61 -0.04 -1.26 -4.77 135.00 128.45 1jkn n PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1jkn n PRO 2 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1jkn n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1jkn n LEU 3 N 0.00 1.55 -0.08 1.53 -0.00 -1.26 -4.59 117.00 114.16 1jkn n LEU 3 Ca 0.00 -1.60 -0.08 0.00 -0.00 0.00 0.00 56.01 54.33 1jkn n LEU 3 Cb 0.00 -1.62 -0.12 0.00 -0.00 0.00 0.00 43.42 41.69 1jkn n LEU 3 CO 0.00 -2.74 -1.00 0.61 -0.00 0.00 0.00 177.39 174.26 1jkn n GLY 4 N 6.64 -0.71 0.00 -3.96 0.00 -1.26 -5.05 105.19 100.84 1jkn n GLY 4 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.59 0.00 -3.15 1.61 7.64 -1.26 -4.68 113.62 111.18 1jkn n SER 5 Ca -0.25 -0.18 0.05 0.00 1.01 0.00 0.00 58.87 59.50 1jkn n SER 5 Cb 0.98 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.17 1jkn n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1jkn s MET 6 N 0.46 0.33 0.00 1.43 1.75 0.30 -4.83 119.30 118.75 1jkn s MET 6 Ca 0.00 0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 1jkn s MET 6 Cb 0.00 0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.97 1jkn s MET 6 CO 0.00 -0.40 0.63 -0.40 -0.65 0.00 0.00 175.02 174.20 1jkn n ASP 7 N 5.43 0.18 -3.65 1.11 5.68 -1.26 0.20 116.55 124.24 1jkn n ASP 7 Ca -0.03 -1.44 -0.04 0.00 -0.50 0.00 0.00 54.79 52.77 1jkn n ASP 7 Cb 0.53 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.36 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jkn s SER 8 N -1.02 -0.93 -0.27 -1.12 0.01 -1.26 -4.85 113.70 104.25 1jkn s SER 8 Ca 0.00 1.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.41 1jkn s SER 8 Cb 0.00 1.80 -0.02 0.00 0.21 0.00 0.00 66.02 68.00 1jkn s SER 8 CO 0.00 -0.23 1.71 -2.16 0.41 0.00 0.00 173.24 172.97 1jkn s PRO 9 N 2.37 3.58 0.01 12.44 0.04 -1.26 -4.95 135.00 147.22 1jkn s PRO 9 Ca -0.07 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1jkn s PRO 9 Cb -0.10 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1jkn s PRO 9 CO -0.18 -1.56 0.02 -0.35 0.04 0.00 0.00 177.00 174.97 1jkn n PRO 10 N 8.04 0.44 -2.64 0.56 -0.04 -1.26 -5.10 135.00 135.00 1jkn n PRO 10 Ca 0.21 -0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 1jkn n PRO 10 Cb 0.46 -0.01 0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jkn s GLU 11 N -2.59 3.08 0.00 0.54 2.02 -1.26 -4.33 118.70 116.17 1jkn s GLU 11 Ca 0.01 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1jkn s GLU 11 Cb -0.00 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1jkn s GLU 11 CO 0.01 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1jkn n GLY 12 N -2.36 2.78 3.77 -1.39 0.00 -1.26 -5.00 105.19 101.73 1jkn n GLY 12 Ca 0.03 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.81 3.44 0.49 1.61 2.02 -1.26 -2.03 117.35 120.81 1jkn s TYR 13 Ca 0.00 0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.87 1jkn s TYR 13 Cb 0.00 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 1jkn s TYR 13 CO 0.00 0.44 0.99 0.50 -1.57 0.00 0.00 175.55 175.91 1jkn s ARG 14 N -0.22 3.96 0.11 -0.62 3.52 -1.19 -4.41 118.95 120.11 1jkn s ARG 14 Ca 0.10 1.07 -0.31 0.00 -0.13 0.00 0.00 55.73 56.46 1jkn s ARG 14 Cb -0.12 -2.14 -0.08 0.00 -1.56 0.00 0.00 34.95 31.05 1jkn s ARG 14 CO 0.01 -0.26 1.52 1.03 -0.81 0.00 0.00 175.30 176.79 1jkn s ARG 15 N -3.70 4.25 0.11 5.12 1.81 -1.26 -2.55 118.95 122.72 1jkn s ARG 15 Ca 0.61 2.23 -0.16 0.00 -1.72 0.00 0.00 55.73 56.69 1jkn s ARG 15 Cb -0.11 -3.34 0.03 0.00 -0.45 0.00 0.00 34.95 31.08 1jkn s ARG 15 CO 0.25 -0.59 0.38 1.21 -0.68 0.00 0.00 175.30 175.87 1jkn s ASN 16 N 1.54 -0.20 -0.05 0.23 2.47 -1.22 -2.49 114.94 115.23 1jkn s ASN 16 Ca 0.69 -0.30 -0.00 0.00 0.42 0.00 0.00 52.86 53.67 1jkn s ASN 16 Cb -0.39 0.45 0.03 0.00 -1.45 0.00 0.00 41.25 39.88 1jkn s ASN 16 CO 0.31 -0.80 -0.01 0.68 -3.72 0.00 0.00 177.10 173.56 1jkn s VAL 17 N -3.57 0.32 0.20 -5.21 -7.23 0.23 -3.20 120.40 101.93 1jkn s VAL 17 Ca 0.02 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1jkn s VAL 17 Cb 0.02 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1jkn s VAL 17 CO -0.10 0.21 0.37 -0.83 -0.31 0.00 0.00 175.10 174.44 1jkn s GLY 18 N 1.44 1.76 -0.21 2.32 0.00 -1.24 -1.48 107.32 109.91 1jkn s GLY 18 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1jkn s GLY 18 CO -0.03 -0.84 -0.03 -0.42 0.00 0.00 0.00 173.10 171.79 1jkn s ILE 19 N -1.86 1.16 -0.56 0.90 1.09 -0.47 -0.59 121.20 120.87 1jkn s ILE 19 Ca 0.38 -0.93 -0.21 0.00 -1.10 0.00 0.00 60.65 58.79 1jkn s ILE 19 Cb -0.11 -1.48 0.06 0.00 -1.06 0.00 0.00 42.46 39.87 1jkn s ILE 19 CO 0.29 -0.10 0.80 0.00 -0.10 0.00 0.00 174.94 175.83 1jkn s LEU 21 N 3.33 4.07 0.17 0.00 2.96 -1.26 0.23 118.68 128.18 1jkn s LEU 21 Ca 0.21 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1jkn s LEU 21 Cb -0.17 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1jkn s LEU 21 CO 0.13 0.18 -0.14 0.00 -1.32 0.00 0.00 176.35 175.20 1jkn s MET 22 N -2.39 1.20 0.37 1.98 0.23 0.76 0.13 119.30 121.59 1jkn s MET 22 Ca 0.31 -1.46 0.08 0.00 -1.03 0.00 0.00 55.69 53.59 1jkn s MET 22 Cb -0.13 -1.00 -0.03 0.00 -1.53 0.00 0.00 34.83 32.14 1jkn s MET 22 CO 0.24 0.17 0.27 0.54 -2.03 0.00 0.00 175.02 174.22 1jkn s ASN 23 N -3.02 4.97 0.61 -1.18 2.20 -0.81 -1.69 114.94 116.02 1jkn s ASN 23 Ca 0.18 -0.71 0.19 0.00 -0.94 0.00 0.00 52.86 51.57 1jkn s ASN 23 Cb -0.02 -0.72 1.03 0.00 -2.00 0.00 0.00 41.25 39.54 1jkn s ASN 23 CO 0.05 -0.47 1.56 0.78 -2.94 0.00 0.00 177.10 176.08 1jkn h ASN 24 N 1.26 0.00 -0.03 3.54 2.35 -1.92 0.85 115.58 121.63 1jkn h ASN 24 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1jkn h ASN 24 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1jkn h ASN 24 CO 0.60 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.85 1jkn n ASP 25 N -2.65 1.41 -0.32 5.81 8.00 -1.26 -4.91 116.55 122.64 1jkn n ASP 25 Ca -0.01 -1.49 -0.03 0.00 0.71 0.00 0.00 54.79 53.96 1jkn n ASP 25 Cb 0.55 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.11 -0.25 -2.73 -1.24 5.02 0.30 -5.04 118.16 114.31 1jkn n LYS 26 Ca 0.19 0.44 -0.20 0.00 -2.02 0.00 0.00 58.31 56.72 1jkn n LYS 26 Cb 0.33 -4.11 0.04 0.00 -0.02 0.00 0.00 35.03 31.28 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 -3.03 2.46 -0.21 1.97 -0.14 -1.24 -4.85 119.74 114.70 1jkn s LYS 27 Ca 0.00 -0.98 -0.05 0.00 -1.36 0.00 0.00 55.97 53.57 1jkn s LYS 27 Cb 0.00 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1jkn s LYS 27 CO 0.00 -0.74 0.00 0.42 -0.76 0.00 0.00 175.35 174.27 1jkn s ILE 28 N -2.73 3.90 -0.22 2.17 1.09 0.23 -1.92 121.20 123.73 1jkn s ILE 28 Ca 0.58 -0.33 -0.36 0.00 -1.10 0.00 0.00 60.65 59.45 1jkn s ILE 28 Cb -0.09 -2.77 -0.12 0.00 -1.06 0.00 0.00 42.46 38.41 1jkn s ILE 28 CO 0.38 0.42 1.95 0.33 -0.10 0.00 0.00 174.94 177.92 1jkn n PHE 29 N 4.40 2.05 -5.09 3.97 -0.00 0.35 -2.99 117.46 120.17 1jkn n PHE 29 Ca -0.17 0.20 -0.30 0.00 -0.00 0.00 0.00 57.45 57.18 1jkn n PHE 29 Cb 0.52 -2.58 -0.17 0.00 -0.00 0.00 0.00 39.48 37.25 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jkn s ALA 30 N 5.05 1.94 -0.02 3.13 0.00 -0.25 -4.55 121.76 127.06 1jkn s ALA 30 Ca 0.99 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.15 1jkn s ALA 30 Cb -0.82 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1jkn s ALA 30 CO 0.54 0.30 -0.24 0.00 0.00 0.00 0.00 175.76 176.36 1jkn s ALA 31 N 0.20 1.98 0.50 0.00 0.00 0.15 0.11 121.76 124.70 1jkn s ALA 31 Ca -0.12 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1jkn s ALA 31 Cb -0.16 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 1jkn s ALA 31 CO 0.06 0.48 0.93 -1.54 0.00 0.00 0.00 175.76 175.68 1jkn s SER 32 N -0.54 6.51 0.71 0.00 1.04 0.88 -0.17 113.70 122.12 1jkn s SER 32 Ca 0.09 1.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.79 1jkn s SER 32 Cb -0.09 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO -0.01 -0.59 1.08 -0.13 0.98 0.00 0.00 173.24 174.58 1jkn s ARG 33 N -4.25 2.69 0.00 4.02 0.52 0.42 -2.70 118.95 119.65 1jkn s ARG 33 Ca 0.55 1.15 0.26 0.00 -0.52 0.00 0.00 55.73 57.17 1jkn s ARG 33 Cb -0.10 -1.95 0.61 0.00 0.52 0.00 0.00 34.95 34.02 1jkn s ARG 33 CO 0.36 -1.31 1.47 1.28 0.02 0.00 0.00 175.30 177.12 1jkn n LEU 34 N -3.01 1.03 0.00 2.53 4.77 -0.89 -4.19 117.00 117.23 1jkn n LEU 34 Ca 0.09 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1jkn n LEU 34 Cb 0.53 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1jkn n LEU 34 CO 0.52 0.20 -0.17 -0.90 -1.33 0.00 0.00 177.39 175.71 1jkn n ASP 35 N -0.77 1.71 -4.11 -1.43 5.75 -1.26 -4.99 116.55 111.46 1jkn n ASP 35 Ca 0.10 -0.05 -0.33 0.00 -0.01 0.00 0.00 54.79 54.50 1jkn n ASP 35 Cb 0.36 0.44 -0.15 0.00 -1.03 0.00 0.00 41.12 40.74 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jkn s ILE 36 N -0.79 2.37 0.19 2.12 1.01 -1.26 -5.09 121.20 119.75 1jkn s ILE 36 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 60.65 58.89 1jkn s ILE 36 Cb 0.00 -2.32 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 1jkn s ILE 36 CO 0.00 0.05 1.51 -2.16 0.00 0.00 0.00 174.94 174.34 1jkn s PRO 37 N 1.17 4.24 0.00 2.79 0.04 -1.26 -1.90 135.00 140.08 1jkn s PRO 37 Ca -0.06 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.05 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.40 -1.04 -4.46 6.66 -0.08 -1.26 -4.97 116.55 114.82 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.96 1jkn n ASP 38 Cb 0.39 -0.49 -0.04 0.00 2.34 0.00 0.00 41.12 43.33 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 -3.09 3.16 0.17 -1.67 0.00 -0.80 -4.97 121.76 114.57 1jkn s ALA 39 Ca 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 51.96 49.93 1jkn s ALA 39 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1jkn s ALA 39 CO 0.00 -2.85 0.23 -1.58 0.00 0.00 0.00 175.76 171.57 1jkn s TRP 40 N 3.77 3.34 0.12 0.00 0.52 -1.26 0.16 118.94 125.59 1jkn s TRP 40 Ca 0.25 0.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.26 1jkn s TRP 40 Cb -0.14 -1.59 0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1jkn s TRP 40 CO 0.05 0.51 0.74 0.00 0.02 0.00 0.00 176.95 178.27 1jkn n GLN 41 N -0.60 0.43 -4.04 4.98 10.64 0.76 -4.37 117.38 125.17 1jkn n GLN 41 Ca -0.08 -1.01 -0.23 0.00 -1.83 0.00 0.00 57.00 53.86 1jkn n GLN 41 Cb 0.55 1.38 -0.04 0.00 -0.86 0.00 0.00 30.24 31.27 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 3.14 0.50 2.61 -1.94 -1.26 0.33 119.30 120.65 1jkn s MET 42 Ca 0.16 -0.87 -0.22 0.00 -1.71 0.00 0.00 55.69 53.05 1jkn s MET 42 Cb -0.02 -2.73 -0.06 0.00 2.01 0.00 0.00 34.83 34.03 1jkn s MET 42 CO 0.04 0.44 1.23 -1.25 -0.01 0.00 0.00 175.02 175.47 1jkn s PRO 43 N -3.65 3.51 0.34 2.03 0.04 -1.26 -4.93 135.00 131.09 1jkn s PRO 43 Ca 0.33 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 1jkn s PRO 43 Cb -0.09 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1jkn s PRO 43 CO 0.26 -0.80 0.61 -1.14 0.04 0.00 0.00 177.00 175.98 1jkn s GLN 44 N -2.81 1.97 -0.30 4.56 2.00 -1.26 -1.37 119.66 122.45 1jkn s GLN 44 Ca 0.67 -1.50 -0.27 0.00 -2.00 0.00 0.00 55.36 52.26 1jkn s GLN 44 Cb -0.32 0.53 0.20 0.00 0.80 0.00 0.00 33.01 34.21 1jkn s GLN 44 CO 0.39 -0.87 1.43 0.20 -0.50 0.00 0.00 175.29 175.94 1jkn s GLY 45 N -3.12 0.25 0.11 2.59 0.00 -0.55 -4.74 107.32 101.87 1jkn s GLY 45 Ca 0.22 3.24 -0.31 0.00 0.00 0.00 0.00 44.72 47.87 1jkn s GLY 45 CO 0.14 1.52 1.32 -0.32 0.00 0.00 0.00 173.10 175.76 1jkn s GLY 46 N -0.52 2.18 0.92 0.20 0.00 -1.26 0.75 107.32 109.60 1jkn s GLY 46 Ca 0.09 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.74 1jkn s GLY 46 CO -0.12 2.21 1.02 1.39 0.00 0.00 0.00 173.10 177.59 1jkn n ILE 47 N 3.72 0.09 -3.39 0.90 5.41 -1.04 -4.82 119.36 120.22 1jkn n ILE 47 Ca 0.10 -0.04 -0.32 0.00 1.00 0.00 0.00 62.75 63.48 1jkn n ILE 47 Cb 0.44 -0.94 -0.05 0.00 -0.71 0.00 0.00 39.64 38.37 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 -2.50 6.65 -0.75 4.38 1.01 -1.26 -4.90 116.67 119.30 1jkn s ASP 48 Ca 0.65 0.96 -0.27 0.00 0.71 0.00 0.00 52.55 54.60 1jkn s ASP 48 Cb -0.23 -2.24 -0.15 0.00 1.01 0.00 0.00 42.92 41.31 1jkn s ASP 48 CO 0.59 -0.06 2.52 -0.62 0.21 0.00 0.00 175.17 177.81 1jkn n GLU 49 N -0.05 0.51 -2.21 8.23 4.71 -1.26 0.37 120.64 130.94 1jkn n GLU 49 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1jkn n GLU 49 Cb 0.52 -2.51 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 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 6.24 0.96 3.52 0.62 0.00 -1.26 -5.07 105.19 110.19 1jkn n GLY 50 Ca 0.52 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.41 2.16 0.31 1.61 2.56 0.16 -5.11 118.70 115.98 1jkn s GLU 51 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 54.97 53.73 1jkn s GLU 51 Cb 0.00 -2.28 -0.10 0.00 2.00 0.00 0.00 34.13 33.75 1jkn s GLU 51 CO 0.00 0.54 1.14 0.34 -0.56 0.00 0.00 175.26 176.72 1jkn s ASP 52 N -1.72 7.04 0.32 -1.70 2.15 -1.26 -4.70 116.67 116.80 1jkn s ASP 52 Ca 0.17 2.34 0.02 0.00 0.43 0.00 0.00 52.55 55.51 1jkn s ASP 52 Cb -0.11 -2.63 0.59 0.00 -0.30 0.00 0.00 42.92 40.47 1jkn s ASP 52 CO 0.09 -0.31 1.93 -0.65 -0.17 0.00 0.00 175.17 176.06 1jkn h PRO 53 N 3.48 0.92 0.00 4.34 0.11 -1.96 0.59 132.00 139.49 1jkn h PRO 53 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1jkn h PRO 53 Cb 1.22 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1jkn h PRO 53 CO 0.66 0.61 -0.26 -0.09 -0.21 0.00 0.00 178.00 178.70 1jkn h ARG 54 N 0.95 0.00 0.09 1.05 2.43 -1.92 -2.54 114.38 114.44 1jkn h ARG 54 Ca 0.35 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.22 1jkn h ARG 54 Cb 0.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1jkn h ARG 54 CO -0.12 0.26 -1.60 -0.91 -1.51 0.00 0.00 179.97 176.09 1jkn h ASN 55 N 0.00 0.29 0.02 -3.80 2.35 -1.59 -3.04 115.58 109.82 1jkn h ASN 55 Ca -0.00 -0.80 -0.02 0.00 -0.55 0.00 0.00 56.30 54.92 1jkn h ASN 55 Cb 0.99 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1jkn h ASN 55 CO 0.03 1.68 -0.06 0.00 -1.65 0.00 0.00 177.43 177.44 1jkn h ALA 56 N -0.12 1.77 0.05 -0.83 0.00 0.07 -0.63 119.26 119.57 1jkn h ALA 56 Ca -0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jkn h ALA 56 Cb 1.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jkn h ALA 56 CO -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1jkn h ALA 57 N 1.84 -0.06 -0.28 0.00 0.00 -1.58 0.74 119.26 119.91 1jkn h ALA 57 Ca 0.02 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1jkn h ALA 57 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jkn h ALA 57 CO 0.01 -0.20 0.22 0.82 0.00 0.00 0.00 179.25 180.10 1jkn h ILE 58 N -0.73 0.74 0.00 0.00 2.04 -1.36 0.31 117.51 118.51 1jkn h ILE 58 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1jkn h ILE 58 Cb 0.63 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1jkn h ILE 58 CO 0.01 0.00 -0.45 -0.09 0.00 0.00 0.00 178.15 177.62 1jkn h ARG 59 N 0.00 0.00 -0.84 2.37 2.43 -1.06 -3.32 114.38 113.96 1jkn h ARG 59 Ca 0.13 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1jkn h ARG 59 Cb 0.57 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 1jkn h ARG 59 CO -0.00 0.72 0.44 0.93 -1.51 0.00 0.00 179.97 180.55 1jkn h GLU 60 N -1.00 0.65 0.17 0.20 4.39 0.11 -1.96 114.58 117.13 1jkn h GLU 60 Ca -0.11 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1jkn h GLU 60 Cb 0.87 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1jkn h GLU 60 CO -0.07 0.43 -0.27 1.25 -1.16 0.00 0.00 179.01 179.20 1jkn h LEU 61 N 0.67 -0.74 -1.11 1.33 5.85 -0.56 0.52 115.31 121.27 1jkn h LEU 61 Ca 0.44 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.24 1jkn h LEU 61 Cb 0.56 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1jkn h LEU 61 CO -0.33 -0.36 0.00 -1.14 -0.34 0.00 0.00 178.44 176.27 1jkn n ARG 62 N -5.38 0.12 -0.03 1.25 0.63 -0.88 0.83 116.66 113.20 1jkn n ARG 62 Ca -0.07 0.59 -0.21 0.00 -0.92 0.00 0.00 57.85 57.24 1jkn n ARG 62 Cb 0.29 -1.87 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 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 -2.12 0.73 0.01 -0.14 1.02 0.52 -2.29 120.64 118.37 1jkn n GLU 63 Ca -0.01 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.39 1jkn n GLU 63 Cb 0.05 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.69 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 -3.52 0.63 -0.00 3.49 1.02 0.15 -3.59 120.64 118.81 1jkn n GLU 64 Ca -0.35 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.00 1jkn n GLU 64 Cb 1.01 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.86 0.01 -0.93 2.62 -2.24 0.24 -4.48 114.28 106.63 1jkn n THR 65 Ca -0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1jkn n THR 65 Cb 0.87 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 2.40 0.62 3.65 3.38 0.00 -0.81 0.12 105.19 114.55 1jkn n GLY 66 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.69 3.89 -0.21 1.61 1.01 -1.25 -4.47 120.40 118.29 1jkn s VAL 67 Ca 0.00 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.12 1jkn s VAL 67 Cb 0.00 -3.75 -0.21 0.00 0.00 0.00 0.00 36.38 32.42 1jkn s VAL 67 CO 0.00 -0.16 -0.00 0.35 0.00 0.00 0.00 175.10 175.28 1jkn n THR 68 N 5.69 1.48 -2.97 3.92 -2.24 -1.26 -3.87 114.28 115.02 1jkn n THR 68 Ca 0.16 -0.71 -0.44 0.00 -2.27 0.00 0.00 64.05 60.79 1jkn n THR 68 Cb 0.44 -1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1jkn n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jkn s SER 69 N -6.11 7.06 -0.14 3.42 0.01 -1.26 -4.92 113.70 111.75 1jkn s SER 69 Ca -0.22 -2.97 -0.08 0.00 1.31 0.00 0.00 55.95 53.99 1jkn s SER 69 Cb 0.08 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.97 1jkn s SER 69 CO 0.72 -0.74 0.35 0.00 0.41 0.00 0.00 173.24 173.98 1jkn s ALA 70 N 1.48 -0.86 0.04 1.44 0.00 -1.26 0.11 121.76 122.70 1jkn s ALA 70 Ca 0.41 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.77 1jkn s ALA 70 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO -0.01 -0.23 -0.26 -1.83 0.00 0.00 0.00 175.76 173.43 1jkn s GLU 71 N 1.26 1.80 -0.12 0.00 -1.05 -0.77 -4.89 118.70 114.93 1jkn s GLU 71 Ca -0.09 -1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 1jkn s GLU 71 Cb -0.09 -1.95 -0.02 0.00 -0.44 0.00 0.00 34.13 31.63 1jkn s GLU 71 CO -0.10 0.51 1.16 0.08 0.95 0.00 0.00 175.26 177.86 1jkn s VAL 72 N -0.79 4.41 -0.31 1.83 1.01 -1.25 0.14 120.40 125.44 1jkn s VAL 72 Ca 0.11 1.71 0.14 0.00 0.00 0.00 0.00 61.98 63.94 1jkn s VAL 72 Cb -0.10 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 1jkn s VAL 72 CO 0.02 -0.07 0.44 -0.38 0.00 0.00 0.00 175.10 175.11 1jkn n ILE 73 N 4.93 0.00 -3.59 2.22 2.08 -1.11 -4.90 119.36 119.00 1jkn n ILE 73 Ca 0.12 -0.25 -0.14 0.00 0.56 0.00 0.00 62.75 63.03 1jkn n ILE 73 Cb 0.46 0.56 -0.06 0.00 -0.75 0.00 0.00 39.64 39.86 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 -2.66 -1.30 -0.17 -1.39 0.00 -1.26 -5.00 121.76 109.98 1jkn s ALA 74 Ca -0.00 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 1jkn s ALA 74 Cb 0.10 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.63 1jkn s ALA 74 CO 0.58 -0.47 0.31 -1.83 0.00 0.00 0.00 175.76 174.35 1jkn s GLU 75 N -2.27 0.22 0.12 0.00 -1.05 -1.26 0.11 118.70 114.58 1jkn s GLU 75 Ca -0.06 0.75 -0.33 0.00 -0.15 0.00 0.00 54.97 55.18 1jkn s GLU 75 Cb -0.01 -0.09 -0.12 0.00 -0.44 0.00 0.00 34.13 33.47 1jkn s GLU 75 CO -0.00 -0.35 1.73 0.28 0.95 0.00 0.00 175.26 177.87 1jkn n VAL 76 N 5.36 0.20 0.94 1.83 0.31 -1.08 -4.86 118.33 121.03 1jkn n VAL 76 Ca -0.06 -0.04 0.10 0.00 -0.01 0.00 0.00 64.34 64.33 1jkn n VAL 76 Cb 0.50 -1.86 0.51 0.00 -0.91 0.00 0.00 33.84 32.08 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 4.70 0.26 -4.11 5.55 -0.04 -1.26 -4.75 135.00 135.36 1jkn n PRO 77 Ca 0.18 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.58 1jkn n PRO 77 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 1jkn n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jkn s TYR 78 N -2.61 0.41 0.48 0.54 -0.85 -1.26 -4.77 117.35 109.29 1jkn s TYR 78 Ca 0.18 -0.08 -0.23 0.00 -0.52 0.00 0.00 57.07 56.43 1jkn s TYR 78 Cb 0.14 -0.28 -0.07 0.00 0.38 0.00 0.00 41.96 42.13 1jkn s TYR 78 CO 0.32 -0.02 1.30 -1.58 -1.52 0.00 0.00 175.55 174.04 1jkn s TRP 79 N 0.00 2.58 -0.11 -3.49 0.52 0.53 -4.51 118.94 114.46 1jkn s TRP 79 Ca 0.00 1.42 -0.04 0.00 0.02 0.00 0.00 56.10 57.50 1jkn s TRP 79 Cb -0.03 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 1jkn s TRP 79 CO -0.00 -2.34 0.06 -0.51 0.02 0.00 0.00 176.95 174.18 1jkn s LEU 80 N -3.09 3.91 -0.02 2.99 2.01 0.37 0.11 118.68 124.96 1jkn s LEU 80 Ca 0.65 0.26 0.00 0.00 0.01 0.00 0.00 54.13 55.05 1jkn s LEU 80 Cb -0.37 -1.93 0.03 0.00 0.01 0.00 0.00 46.19 43.93 1jkn s LEU 80 CO 0.45 0.36 0.02 0.42 1.01 0.00 0.00 176.35 178.61 1jkn s THR 81 N -0.78 0.03 0.22 5.49 -4.23 -1.26 0.27 115.64 115.37 1jkn s THR 81 Ca 0.13 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1jkn s THR 81 Cb -0.12 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 1jkn s THR 81 CO 0.03 0.10 0.13 -0.72 -0.54 0.00 0.00 174.62 173.62 1jkn s TYR 82 N 0.97 1.25 0.19 3.99 1.13 -1.26 -4.95 117.35 118.67 1jkn s TYR 82 Ca -0.09 -1.36 0.08 0.00 -1.41 0.00 0.00 57.07 54.29 1jkn s TYR 82 Cb -0.12 -0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 1jkn s TYR 82 CO -0.02 -0.60 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.75 1jkn s ASP 83 N -3.19 2.62 0.14 -0.18 1.11 -1.26 -3.50 116.67 112.41 1jkn s ASP 83 Ca 0.39 -0.96 0.03 0.00 0.18 0.00 0.00 52.55 52.19 1jkn s ASP 83 Cb 0.07 -0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.88 1jkn s ASP 83 CO 0.13 -0.12 0.21 -0.36 1.18 0.00 0.00 175.17 176.21 1jkn s PHE 84 N -2.63 3.35 1.16 4.23 0.08 -1.25 -4.90 117.98 118.01 1jkn s PHE 84 Ca 0.20 0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1jkn s PHE 84 Cb -0.03 -1.61 0.28 0.00 -0.57 0.00 0.00 43.02 41.09 1jkn s PHE 84 CO 0.07 0.52 1.03 -1.25 -0.10 0.00 0.00 175.22 175.49 1jkn s PRO 85 N -3.07 -0.89 0.00 0.24 0.04 -1.26 -4.43 135.00 125.63 1jkn s PRO 85 Ca 0.33 0.74 0.09 0.00 0.04 0.00 0.00 61.00 62.19 1jkn s PRO 85 Cb -0.11 -1.56 0.37 0.00 0.04 0.00 0.00 34.50 33.24 1jkn s PRO 85 CO 0.26 -3.68 1.26 -2.30 0.04 0.00 0.00 177.00 172.59 1jkn n PRO 86 N -4.87 0.01 -0.08 0.56 -0.02 -1.26 -0.19 135.00 129.14 1jkn n PRO 86 Ca 0.03 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1jkn n PRO 86 Cb 0.55 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.38 1jkn n PRO 86 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1jkn n LYS 87 N -1.48 0.68 -0.07 -0.52 4.81 -1.26 -3.39 118.16 116.91 1jkn n LYS 87 Ca 0.02 0.11 -0.18 0.00 -0.87 0.00 0.00 58.31 57.39 1jkn n LYS 87 Cb 0.10 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 33.43 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jkn h VAL 88 N 0.01 1.40 -0.12 3.15 2.07 -1.76 -2.63 116.25 118.37 1jkn h VAL 88 Ca -0.49 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 64.75 1jkn h VAL 88 Cb 2.12 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 34.78 1jkn h VAL 88 CO 0.02 0.51 0.03 -0.09 0.02 0.00 0.00 177.57 178.06 1jkn h ARG 89 N -0.92 0.08 0.00 1.57 2.43 -0.79 0.95 114.38 117.69 1jkn h ARG 89 Ca -0.16 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1jkn h ARG 89 Cb 1.19 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1jkn h ARG 89 CO -0.07 0.05 -0.06 1.49 -1.51 0.00 0.00 179.97 179.87 1jkn h GLU 90 N 0.08 0.00 0.07 0.20 4.81 -1.71 -0.79 114.58 117.23 1jkn h GLU 90 Ca 0.05 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1jkn h GLU 90 Cb 0.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1jkn h GLU 90 CO -0.06 0.06 -0.47 -0.22 -0.73 0.00 0.00 179.01 177.59 1jkn h LYS 91 N 0.00 0.20 -0.38 1.92 3.11 -0.79 -3.33 116.57 117.29 1jkn h LYS 91 Ca -0.00 -0.30 0.03 0.00 -2.81 0.00 0.00 60.65 57.57 1jkn h LYS 91 Cb 0.11 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1jkn h LYS 91 CO 0.01 1.11 0.18 -0.07 -2.81 0.00 0.00 179.45 177.87 1jkn h LEU 92 N -0.56 0.26 -1.81 5.20 3.38 0.13 0.65 115.31 122.54 1jkn h LEU 92 Ca -0.08 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.31 1jkn h LEU 92 Cb 1.33 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1jkn h LEU 92 CO 0.09 0.19 0.94 0.78 0.09 0.00 0.00 178.44 180.53 1jkn h ASN 93 N 0.37 0.11 0.00 -0.43 -0.26 -1.24 1.64 115.58 115.77 1jkn h ASN 93 Ca 0.16 0.03 -0.39 0.00 -0.56 0.00 0.00 56.30 55.55 1jkn h ASN 93 Cb 0.09 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.31 1jkn h ASN 93 CO -0.12 -0.01 -2.11 -0.38 -1.06 0.00 0.00 177.43 173.74 1jkn n ILE 94 N -4.28 1.53 0.21 2.81 5.41 -0.43 -2.77 119.36 121.84 1jkn n ILE 94 Ca 0.31 -0.28 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 1jkn n ILE 94 Cb 1.37 -1.92 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 1jkn n ILE 94 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1jkn h GLN 95 N -0.96 -0.54 0.04 0.38 4.20 0.11 -3.29 115.11 115.07 1jkn h GLN 95 Ca -0.58 0.04 -0.23 0.00 0.06 0.00 0.00 58.65 57.94 1jkn h GLN 95 Cb 1.53 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.42 1jkn h GLN 95 CO -0.34 -0.23 -1.02 -1.49 -0.67 0.00 0.00 178.83 175.08 1jkn h TRP 96 N -0.91 0.41 -0.89 2.96 4.06 0.20 -3.48 115.95 118.30 1jkn h TRP 96 Ca -0.06 -0.25 -0.02 0.00 2.06 0.00 0.00 58.89 60.62 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 0.02 1.12 -0.03 0.41 -3.56 0.00 0.00 178.44 176.39 1jkn n GLY 97 N 1.14 0.69 3.15 1.49 0.00 0.11 -4.98 105.19 106.79 1jkn n GLY 97 Ca -0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.99 1.63 -0.48 1.61 0.01 -1.24 -4.98 113.70 107.27 1jkn s SER 98 Ca 0.02 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.79 1jkn s SER 98 Cb -0.01 -0.08 0.48 0.00 0.21 0.00 0.00 66.02 66.62 1jkn s SER 98 CO 0.03 -0.02 1.67 -0.90 0.41 0.00 0.00 173.24 174.43 1jkn n ASP 99 N 1.63 5.75 -4.87 2.44 5.68 -1.26 -3.73 116.55 122.19 1jkn n ASP 99 Ca -0.19 -3.77 -0.32 0.00 -0.50 0.00 0.00 54.79 50.01 1jkn n ASP 99 Cb 0.54 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.76 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1jkn s TRP 100 N -3.63 3.41 -0.12 2.11 0.52 -1.26 -4.99 118.94 114.97 1jkn s TRP 100 Ca 0.57 0.99 0.15 0.00 0.02 0.00 0.00 56.10 57.82 1jkn s TRP 100 Cb 0.46 -2.36 0.07 0.00 -1.15 0.00 0.00 33.47 30.50 1jkn s TRP 100 CO 0.02 0.19 1.45 0.87 0.02 0.00 0.00 176.95 179.49 1jkn h LYS 101 N 2.34 0.00 0.00 4.98 6.56 -1.80 -3.49 116.57 125.16 1jkn h LYS 101 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1jkn h LYS 101 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.67 0.53 0.00 0.41 -2.06 0.00 0.00 179.45 179.01 1jkn n GLY 102 N 1.19 1.06 3.34 3.86 0.00 -1.25 -3.90 105.19 109.49 1jkn n GLY 102 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1jkn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jkn s GLN 103 N 4.78 0.52 -0.56 1.61 -2.07 -1.23 -3.18 119.66 119.54 1jkn s GLN 103 Ca 0.00 1.15 -0.24 0.00 -1.82 0.00 0.00 55.36 54.44 1jkn s GLN 103 Cb 0.00 0.56 0.04 0.00 -1.09 0.00 0.00 33.01 32.52 1jkn s GLN 103 CO 0.00 -0.41 0.96 0.00 -1.32 0.00 0.00 175.29 174.52 1jkn s ALA 104 N 2.81 3.15 0.17 2.60 0.00 -1.06 -4.13 121.76 125.31 1jkn s ALA 104 Ca 0.06 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.89 1jkn s ALA 104 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1jkn s ALA 104 CO -0.19 -2.42 -0.20 1.14 0.00 0.00 0.00 175.76 174.09 1jkn s GLN 105 N 4.03 1.33 -0.39 0.00 1.03 0.14 -3.39 119.66 122.42 1jkn s GLN 105 Ca 0.31 -1.42 -0.05 0.00 0.04 0.00 0.00 55.36 54.24 1jkn s GLN 105 Cb -0.12 -1.48 0.09 0.00 0.03 0.00 0.00 33.01 31.52 1jkn s GLN 105 CO 0.19 0.31 0.18 0.15 -2.54 0.00 0.00 175.29 173.58 1jkn s LYS 106 N -2.68 2.30 0.49 9.60 1.02 -1.20 0.14 119.74 129.41 1jkn s LYS 106 Ca 0.16 -1.58 -0.23 0.00 0.02 0.00 0.00 55.97 54.35 1jkn s LYS 106 Cb -0.07 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.62 1jkn s LYS 106 CO 0.07 -0.93 1.24 -1.58 -0.92 0.00 0.00 175.35 173.23 1jkn s TRP 107 N 1.26 2.66 -0.06 3.18 0.52 -1.26 -3.60 118.94 121.64 1jkn s TRP 107 Ca 0.04 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.65 1jkn s TRP 107 Cb -0.22 -3.55 0.01 0.00 -1.15 0.00 0.00 33.47 28.56 1jkn s TRP 107 CO -0.01 -2.04 -0.12 -0.06 0.02 0.00 0.00 176.95 174.74 1jkn s PHE 108 N -1.44 1.40 0.48 -1.98 0.40 0.24 -2.63 117.98 114.44 1jkn s PHE 108 Ca 0.66 -0.49 -0.19 0.00 -0.60 0.00 0.00 56.93 56.31 1jkn s PHE 108 Cb -0.33 -1.02 -0.09 0.00 0.51 0.00 0.00 43.02 42.08 1jkn s PHE 108 CO 0.40 -0.25 0.98 -1.17 0.70 0.00 0.00 175.22 175.88 1jkn s LEU 109 N 0.61 3.79 -0.14 -0.37 2.96 0.31 0.17 118.68 126.02 1jkn s LEU 109 Ca -0.13 1.70 -0.07 0.00 -0.22 0.00 0.00 54.13 55.41 1jkn s LEU 109 Cb -0.15 -4.53 0.06 0.00 0.50 0.00 0.00 46.19 42.06 1jkn s LEU 109 CO 0.03 -0.57 0.31 -0.36 -1.32 0.00 0.00 176.35 174.45 1jkn s PHE 110 N -2.31 -0.46 -0.23 5.38 0.40 0.63 -2.75 117.98 118.63 1jkn s PHE 110 Ca 0.62 1.03 -0.18 0.00 -0.60 0.00 0.00 56.93 57.80 1jkn s PHE 110 Cb -0.11 0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.51 1jkn s PHE 110 CO 0.22 -0.30 0.49 0.21 0.70 0.00 0.00 175.22 176.53 1jkn s LYS 111 N 1.55 4.13 0.09 0.44 2.47 0.36 -0.17 119.74 128.61 1jkn s LYS 111 Ca -0.07 0.32 -0.31 0.00 -1.56 0.00 0.00 55.97 54.35 1jkn s LYS 111 Cb -0.10 -3.60 -0.09 0.00 -1.46 0.00 0.00 37.83 32.58 1jkn s LYS 111 CO -0.10 -0.22 1.62 0.12 0.16 0.00 0.00 175.35 176.93 1jkn s PHE 112 N 1.88 2.60 -0.25 4.03 5.36 -0.68 -1.85 117.98 129.07 1jkn s PHE 112 Ca 0.22 0.42 0.12 0.00 -0.96 0.00 0.00 56.93 56.73 1jkn s PHE 112 Cb -0.15 -3.94 0.46 0.00 -0.34 0.00 0.00 43.02 39.04 1jkn s PHE 112 CO 0.09 -3.70 1.18 0.25 -1.46 0.00 0.00 175.22 171.58 1jkn n THR 113 N 4.53 2.03 -1.01 0.12 -2.24 0.30 -4.78 114.28 113.23 1jkn n THR 113 Ca 0.15 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 1jkn n THR 113 Cb 0.40 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.68 5.54 3.26 3.38 0.00 -1.20 -4.75 105.19 110.74 1jkn n GLY 114 Ca 0.29 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 3.49 1.06 0.47 1.61 -0.21 -1.26 -5.00 119.66 119.82 1jkn s GLN 115 Ca 0.00 -1.25 0.15 0.00 0.02 0.00 0.00 55.36 54.28 1jkn s GLN 115 Cb 0.00 -0.99 0.82 0.00 1.00 0.00 0.00 33.01 33.83 1jkn s GLN 115 CO 0.00 0.20 1.38 -0.44 -2.12 0.00 0.00 175.29 174.31 1jkn h ASP 116 N 3.53 0.00 1.60 5.90 5.19 -2.02 0.82 116.42 131.44 1jkn h ASP 116 Ca -0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 1jkn h ASP 116 Cb 1.20 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1jkn h ASP 116 CO 0.50 0.00 -0.03 -0.61 -3.12 0.00 0.00 179.24 175.98 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 -0.00 -2.04 -3.07 115.11 113.56 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1jkn h GLN 117 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.38 1jkn h GLN 117 CO 0.00 0.03 -0.54 1.49 0.00 0.00 0.00 178.83 179.81 1jkn h GLU 118 N 0.00 0.00 -6.10 1.69 4.57 0.32 -3.43 114.58 111.63 1jkn h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1jkn h GLU 118 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1jkn h GLU 118 CO 0.00 0.54 1.33 0.42 -1.18 0.00 0.00 179.01 180.12 1jkn s ILE 119 N -3.15 3.40 -0.39 2.32 1.01 -1.16 -3.81 121.20 119.42 1jkn s ILE 119 Ca 0.02 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1jkn s ILE 119 Cb 0.09 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.90 1jkn s ILE 119 CO 0.74 -0.65 0.14 0.21 0.00 0.00 0.00 174.94 175.38 1jkn s ASN 120 N 7.37 4.25 0.65 3.58 3.04 0.32 -4.96 114.94 129.20 1jkn s ASN 120 Ca 0.74 -2.30 0.37 0.00 0.04 0.00 0.00 52.86 51.71 1jkn s ASN 120 Cb -0.17 -1.31 2.04 0.00 -1.54 0.00 0.00 41.25 40.27 1jkn s ASN 120 CO 0.27 -0.34 2.18 -0.07 -3.04 0.00 0.00 177.10 176.11 1jkn h LEU 121 N 7.32 0.00 0.76 3.21 3.38 -1.77 -2.22 115.31 125.99 1jkn h LEU 121 Ca -0.07 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 0.53 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.63 1jkn h LEU 122 N 0.00 -0.86 0.00 1.67 -0.00 -1.82 -3.32 115.31 110.98 1jkn h LEU 122 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1jkn h LEU 122 Cb 0.29 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1jkn h LEU 122 CO -0.00 -0.60 0.00 0.61 -0.00 0.00 0.00 178.44 178.45 1jkn n GLY 123 N -1.46 1.03 1.88 0.83 0.00 -0.86 -2.83 105.19 103.78 1jkn n GLY 123 Ca -0.14 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 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 2.99 6.15 -1.51 1.61 5.68 -1.03 -4.72 116.55 125.72 1jkn n ASP 124 Ca 0.00 -3.08 -0.14 0.00 -0.50 0.00 0.00 54.79 51.08 1jkn n ASP 124 Cb 0.00 -1.00 -0.01 0.00 -1.14 0.00 0.00 41.12 38.96 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 0.19 0.05 0.77 6.12 0.00 -1.26 -4.90 105.19 106.16 1jkn n GLY 125 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.61 0.44 -4.94 1.61 7.64 -1.26 -5.09 113.62 111.41 1jkn n SER 126 Ca -0.16 0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.58 1jkn n SER 126 Cb 0.60 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.40 2.99 0.39 1.43 2.02 -1.26 -5.10 118.70 117.77 1jkn s GLU 127 Ca -0.02 -1.11 -0.24 0.00 0.02 0.00 0.00 54.97 53.61 1jkn s GLU 127 Cb 0.00 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 1jkn s GLU 127 CO 0.04 0.08 1.06 0.15 0.02 0.00 0.00 175.26 176.61 1jkn s LYS 128 N -4.11 4.17 0.29 1.61 3.01 -1.26 -4.60 119.74 118.84 1jkn s LYS 128 Ca 0.43 1.56 -0.29 0.00 -1.01 0.00 0.00 55.97 56.66 1jkn s LYS 128 Cb -0.08 -2.58 -0.13 0.00 -1.01 0.00 0.00 37.83 34.02 1jkn s LYS 128 CO 0.29 -0.15 1.26 -2.30 0.51 0.00 0.00 175.35 174.97 1jkn n PRO 129 N -0.00 1.89 -0.04 -1.68 -0.02 -1.13 -4.92 135.00 129.10 1jkn n PRO 129 Ca 0.05 0.66 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1jkn n PRO 129 Cb 0.49 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.13 2.19 -4.42 -0.52 1.02 -1.25 -4.99 120.64 113.82 1jkn n GLU 130 Ca 0.08 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 1jkn n GLU 130 Cb 0.33 -1.22 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jkn s PHE 131 N -2.28 2.41 -0.01 -0.32 0.08 -1.26 -2.09 117.98 114.50 1jkn s PHE 131 Ca -0.04 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1jkn s PHE 131 Cb 0.03 -1.06 -0.06 0.00 -0.57 0.00 0.00 43.02 41.36 1jkn s PHE 131 CO 0.36 0.68 0.09 0.41 -0.10 0.00 0.00 175.22 176.66 1jkn n GLY 132 N -0.62 -0.16 3.60 4.36 0.00 -1.10 -4.62 105.19 106.65 1jkn n GLY 132 Ca -0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -2.26 1.81 0.03 1.61 0.41 -1.26 -5.01 118.70 114.04 1jkn s GLU 133 Ca -0.01 -1.45 -0.27 0.00 -0.41 0.00 0.00 54.97 52.83 1jkn s GLU 133 Cb 0.03 0.49 0.07 0.00 -1.78 0.00 0.00 34.13 32.94 1jkn s GLU 133 CO 0.17 -0.77 0.62 1.67 -0.49 0.00 0.00 175.26 176.46 1jkn s TRP 134 N -3.37 -0.58 0.17 1.61 1.48 -1.26 -0.08 118.94 116.91 1jkn s TRP 134 Ca 0.24 0.75 -0.07 0.00 -1.06 0.00 0.00 56.10 55.95 1jkn s TRP 134 Cb -0.02 0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 32.72 1jkn s TRP 134 CO 0.13 -0.69 0.26 0.45 -4.06 0.00 0.00 176.95 173.04 1jkn s SER 135 N -1.83 0.08 -0.23 -2.66 0.15 0.30 -4.96 113.70 104.55 1jkn s SER 135 Ca -0.06 -0.98 -0.11 0.00 0.70 0.00 0.00 55.95 55.50 1jkn s SER 135 Cb -0.00 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1jkn s SER 135 CO 0.00 -0.89 0.18 0.26 1.20 0.00 0.00 173.24 173.99 1jkn s TRP 136 N -4.00 3.33 0.03 3.44 0.23 -1.26 -1.09 118.94 119.61 1jkn s TRP 136 Ca 0.21 0.27 0.00 0.00 -2.03 0.00 0.00 56.10 54.55 1jkn s TRP 136 Cb 0.04 -2.28 -0.02 0.00 0.03 0.00 0.00 33.47 31.24 1jkn s TRP 136 CO 0.02 0.09 -0.04 0.14 0.96 0.00 0.00 176.95 178.12 1jkn s VAL 137 N 0.99 0.20 0.83 4.03 -7.23 -1.16 -4.89 120.40 113.18 1jkn s VAL 137 Ca 0.09 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 1jkn s VAL 137 Cb -0.13 -0.50 0.09 0.00 0.56 0.00 0.00 36.38 36.40 1jkn s VAL 137 CO 0.04 -0.55 1.09 0.42 -0.31 0.00 0.00 175.10 175.79 1jkn s THR 138 N -1.79 3.00 0.14 5.32 -4.23 -1.26 0.75 115.64 117.56 1jkn s THR 138 Ca -0.12 0.32 0.28 0.00 -1.18 0.00 0.00 61.69 61.00 1jkn s THR 138 Cb -0.07 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1jkn s THR 138 CO -0.02 -0.42 1.86 1.55 -0.54 0.00 0.00 174.62 177.05 1jkn h PRO 139 N -1.34 0.00 0.05 3.99 0.13 -1.96 0.75 132.00 133.63 1jkn h PRO 139 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1jkn h PRO 139 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1jkn h PRO 139 CO 0.53 0.00 -1.98 0.39 -0.23 0.00 0.00 178.00 176.71 1jkn n GLU 140 N -2.53 0.69 -0.01 0.86 1.02 -1.26 -3.65 120.64 115.76 1jkn n GLU 140 Ca -0.02 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1jkn n GLU 140 Cb 0.10 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.02 -0.42 3.49 1.08 -1.41 -2.64 115.11 115.21 1jkn h GLN 141 Ca -0.40 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.92 1jkn h GLN 141 Cb 2.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.45 1jkn h GLN 141 CO 0.06 0.53 0.37 1.25 -0.95 0.00 0.00 178.83 180.08 1jkn h LEU 142 N -0.59 0.00 -0.73 1.46 5.85 -1.13 1.04 115.31 121.21 1jkn h LEU 142 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1jkn h LEU 142 Cb 0.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1jkn h LEU 142 CO 0.00 0.00 -0.50 0.40 -0.34 0.00 0.00 178.44 178.00 1jkn h ILE 143 N 0.00 1.11 0.00 4.05 1.08 -1.59 -1.26 117.51 120.90 1jkn h ILE 143 Ca 0.20 -1.90 -0.08 0.00 -0.39 0.00 0.00 64.86 62.69 1jkn h ILE 143 Cb 0.93 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 1jkn h ILE 143 CO -0.00 0.49 -0.37 0.44 -0.69 0.00 0.00 178.15 178.02 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 3.32 0.14 -3.24 116.42 118.60 1jkn h ASP 144 Ca -0.01 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1jkn h ASP 144 Cb 1.06 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.65 1jkn h ASP 144 CO 0.07 0.37 -1.52 -0.07 -1.72 0.00 0.00 179.24 176.37 1jkn h LEU 145 N 0.00 0.80-10.00 1.55 3.38 -0.97 -3.46 115.31 106.61 1jkn h LEU 145 Ca -0.00 -0.92 -0.44 0.00 0.09 0.00 0.00 57.88 56.60 1jkn h LEU 145 Cb 1.26 -0.26 0.22 0.00 0.09 0.00 0.00 40.66 41.97 1jkn h LEU 145 CO 0.05 1.72 -0.30 0.41 0.09 0.00 0.00 178.44 180.41 1jkn n THR 146 N -3.71 0.00 -4.10 0.22 -1.04 -0.50 -4.55 114.28 100.59 1jkn n THR 146 Ca -0.18 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.18 1jkn n THR 146 Cb 1.09 -0.89 -0.04 0.00 -1.82 0.00 0.00 70.33 68.67 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 -2.36 4.52 0.24 12.58 0.11 -1.26 -4.84 120.40 129.38 1jkn s VAL 147 Ca 0.65 -1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 58.25 1jkn s VAL 147 Cb -0.22 -3.42 0.30 0.00 -1.53 0.00 0.00 36.38 31.51 1jkn s VAL 147 CO 0.66 -0.30 1.57 1.05 -3.33 0.00 0.00 175.10 174.75 1jkn h GLU 148 N 1.64 -0.03 0.00 1.54 4.11 -1.95 1.57 114.58 121.46 1jkn h GLU 148 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1jkn h GLU 148 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jkn h GLU 148 CO 0.61 -0.02 0.00 1.97 0.07 0.00 0.00 179.01 181.64 1jkn n PHE 149 N -5.52 0.00 -0.14 2.06 1.16 -1.26 -2.66 117.46 111.11 1jkn n PHE 149 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 1jkn n PHE 149 Cb 0.42 -0.36 0.00 0.00 -1.61 0.00 0.00 39.48 37.92 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 -1.36 0.22 0.26 3.97 5.02 0.31 -4.66 118.16 121.92 1jkn n LYS 150 Ca 0.06 -0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 55.89 1jkn n LYS 150 Cb 0.15 -0.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 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 -0.69 -0.77 1.97 1.57 0.20 -2.29 116.57 116.55 1jkn h LYS 151 Ca 0.00 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1jkn h LYS 151 Cb 0.07 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1jkn h LYS 151 CO 0.00 -0.46 0.47 -1.00 -0.57 0.00 0.00 179.45 177.89 1jkn h PRO 152 N -1.12 0.84 0.00 3.15 0.13 -1.84 0.75 132.00 133.91 1jkn h PRO 152 Ca -0.07 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1jkn h PRO 152 Cb 0.55 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1jkn h PRO 152 CO 0.12 0.56 -0.03 0.28 -0.23 0.00 0.00 178.00 178.70 1jkn h VAL 153 N 0.87 0.49 0.00 1.56 2.07 -1.84 -0.86 116.25 118.54 1jkn h VAL 153 Ca 0.34 -0.11 -0.25 0.00 0.82 0.00 0.00 66.70 67.50 1jkn h VAL 153 Cb 0.15 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1jkn h VAL 153 CO -0.16 0.02 -1.35 -1.22 0.02 0.00 0.00 177.57 174.88 1jkn n TYR 154 N -3.74 0.94 -0.18 1.57 4.02 -0.01 -3.73 117.16 116.03 1jkn n TYR 154 Ca -0.03 0.41 0.26 0.00 -0.01 0.00 0.00 57.90 58.53 1jkn n TYR 154 Cb 0.11 -1.09 0.68 0.00 -0.02 0.00 0.00 39.34 39.03 1jkn n TYR 154 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1jkn h LYS 155 N -1.00 0.07 -0.20 -0.72 1.57 0.69 0.42 116.57 117.41 1jkn h LYS 155 Ca -0.37 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1jkn h LYS 155 Cb 1.31 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1jkn h LYS 155 CO -0.22 0.05 -0.05 1.49 -0.57 0.00 0.00 179.45 180.14 1jkn h GLU 156 N 0.07 0.39 -0.35 3.15 4.57 -1.31 1.02 114.58 122.12 1jkn h GLU 156 Ca 0.42 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1jkn h GLU 156 Cb 1.58 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 1jkn h GLU 156 CO -0.04 0.65 0.18 0.28 -1.18 0.00 0.00 179.01 178.90 1jkn h VAL 157 N 0.11 1.16 -0.05 0.32 2.07 -0.39 0.40 116.25 119.87 1jkn h VAL 157 Ca 0.05 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1jkn h VAL 157 Cb 0.51 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jkn h VAL 157 CO 0.02 0.16 -0.01 -0.07 0.02 0.00 0.00 177.57 177.70 1jkn h LEU 158 N 0.44 0.10 -0.62 2.57 3.38 -0.70 -2.17 115.31 118.31 1jkn h LEU 158 Ca 0.12 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.86 1jkn h LEU 158 Cb 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1jkn h LEU 158 CO -0.02 0.43 0.12 -1.28 0.09 0.00 0.00 178.44 177.78 1jkn h SER 159 N -0.24 -0.04 0.49 -0.43 0.87 0.13 1.62 113.55 115.95 1jkn h SER 159 Ca 0.01 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1jkn h SER 159 Cb 0.39 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1jkn h SER 159 CO 0.00 -0.02 -0.12 0.58 -0.53 0.00 0.00 176.83 176.75 1jkn h VAL 160 N 0.24 0.49 -0.01 2.23 2.07 -0.85 -2.09 116.25 118.33 1jkn h VAL 160 Ca 0.33 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1jkn h VAL 160 Cb 0.51 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1jkn h VAL 160 CO -0.43 0.12 -0.62 0.49 0.02 0.00 0.00 177.57 177.14 1jkn n PHE 161 N -3.53 0.00 -0.34 1.57 3.72 0.17 -4.50 117.46 114.56 1jkn n PHE 161 Ca -0.01 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.64 1jkn n PHE 161 Cb 0.27 -0.02 0.49 0.00 -0.94 0.00 0.00 39.48 39.28 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 3.55 2.04 0.00 4.37 0.00 0.28 0.98 119.26 130.48 1jkn h ALA 162 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jkn h ALA 162 Cb 0.64 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jkn h ALA 162 CO 0.00 -0.65 -0.06 -1.00 0.00 0.00 0.00 179.25 177.54 1jkn h PRO 163 N 0.30 0.00 0.00 0.00 0.13 -1.79 -2.39 132.00 128.26 1jkn h PRO 163 Ca 0.74 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.71 1jkn h PRO 163 Cb 1.75 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.85 1jkn h PRO 163 CO -0.58 0.06 -1.32 1.12 -0.23 0.00 0.00 178.00 177.05 1jkn h HIS 164 N 0.00 0.00 -0.03 1.56 2.07 -1.14 -3.55 115.15 114.07 1jkn h HIS 164 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1jkn h HIS 164 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 1jkn h HIS 164 CO 0.00 0.54 0.00 1.28 -3.07 0.00 0.00 177.93 176.68